SCHEMBL1389538

SCHEMBL1389538

NC(CC(=O)[O-])(CC(=O)[O-])C(N)(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].[Na+]

nearest known ligand 0.50

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA4 known ✓ P22748 5/20 0.50
CA2 known ✓ P00918 1/20 0.33
CA1 known ✓ P00915 3/20 0.32
CASP1 P29466 1/20 0.40
MEN1 O00255 1/20 0.35
LDHA P00338 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
FFAR3 O14843 2/20 0.35
HDAC3 O15379 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
FAHD1 Q6P587 1/20 0.33
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Water SCHEMBL1133745 0.97 CA4 (0.48) CA4CASP1MEN1LDHABLM
Water SCHEMBL976875 0.97 CA4 (0.48) CA4CASP1MEN1LDHABLM
SCHEMBL9656600 0.97 CA4 (0.55) CA4CASP1MEN1LDHABLM
SCHEMBL11344222 0.97 CA4 (0.48) CA4CASP1MEN1LDHABLM
SCHEMBL8984838 0.97 CA4 (0.48) CA4CASP1MEN1LDHABLM
SCHEMBL15251308 0.97 CA4 (0.48) CA4CASP1MEN1LDHABLM
SCHEMBL6669346 0.97 CA4 (0.48) CA4CASP1MEN1LDHABLM
SCHEMBL865415 0.97 CA4 (0.48) CA4CASP1MEN1LDHABLM
SCHEMBL4705339 0.97 CA4 (0.48) CA4CASP1MEN1LDHABLM
SCHEMBL6670067 0.97 CA4 (0.48) CA4CASP1MEN1LDHABLM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 146 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6083875-A Solid glyphosate formulations MONSANTO COMPANY (US) 2000-07-04 US claimed
US-4994376-A Using N-carbobenzoxy-glycyl-glycyl-arginine-B-naphthylamide THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NY (US) 1991-02-19 US claimed
US-20220315801-A1 POLISHING COMPOSITION AND METHOD FOR SELECTIVELY REMOVING SILICON NITRIDE FUJIMI INCORPORATED (JP) 2022-10-06 US disclosed
US-11116786-B2 Combination of glycosaminoglycans and an antacid agent and compositions thereof APHARM S.R.L. (IT) 2021-09-14 US disclosed
US-10815387-B2 Aqueous ink jet ink composition, ink jet recording method, and ink jet recording apparatus SEIKO EPSON CORPORATION (JP) 2020-10-27 US disclosed
CN-109181671-B Mobility control polymers for enhanced oil recovery 艺康美国股份有限公司 2020-08-25 CN disclosed
EP-3461650-B1 RECORDING METHOD SEIKO EPSON CORP (JP) 2020-07-29 EP disclosed
US-10723903-B2 Ink set and recording method SEIKO EPSON CORPORATION (JP) 2020-07-28 US disclosed
US-10696860-B2 Reaction liquid and recording method SIEKO EPSON CORPORATION (JP) 2020-06-30 US disclosed
EP-3461866-B1 INK SET AND RECORDING METHOD SEIKO EPSON CORP (JP) 2020-06-17 EP disclosed
US-10669441-B2 Aqueous ink jet ink composition and ink jet recording method SEIKO EPSON CORPORATION (JP) 2020-06-02 US disclosed
US-4393007-A ONE STEP PRODUCTION OF ANTHRAQUINONE DYES FROM 1-NITRO-ANTHRAQUINONE CIBA-GEIGY AG (CH) 1983-07-12 US disclosed
EP-0070656-A2 Immobilized superoxide dismutase, its production and pharmaceutical composition Takeda Chemical Industries, Ltd. (JP) 1983-01-26 EP disclosed
US-4342665-A COMPRISING A SURFACTANT, A CONJUGATED DIENE-MALEIC ACID OR DERIVATIVE COPOLYMER, CALCIUM ION AND WATER NIPPON OIL COMPANY, LTD. (JP) 1982-08-03 US disclosed
EP-0045222-A2 Mn-Superoxide dismutase, its production and use Takeda Chemical Industries, Ltd. (JP) 1982-02-03 EP disclosed
US-4223009-A A TERTIARY AMINO ALKYL ESTER OF ACRYLIC OR METHACRYLIC ACID AS COMONOMER GAF CORPORATION (US) 1980-09-16 US disclosed
US-4165367-A WITH DIALKYLAMINOALKYL ACRYLATE OR METHACRYLATE GAF CORPORATION (US) 1979-08-21 US disclosed
EP-0001567-A1 Thienamycin related antibiotics PS-6 and PS-7, process for their production and compositions containing them SANRAKU-OCEAN CO., LTD. (JP) 1979-05-02 EP disclosed
US-4152515-A PHOSPHOROUS-FREE LEVER BROTHERS COMPANY (US) 1979-05-01 US disclosed
US-3960679-A Process for hydrodimerizing olefinic compounds MONSANTO COMPANY (US) 1976-06-01 US disclosed