SCHEMBL1389543

SCHEMBL1389543

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

nearest known ligand 0.33

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 4)

geneUniProtsupporting neighboursconfidence
CA2 known ✓ P00918 1/20 0.33
CA4 known ✓ P22748 3/20 0.32
CPT2 P23786 1/20 0.32
CPT1A P50416 1/20 0.32

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
SCHEMBL11099372 0.98 CA2 (0.32) CA2CA4CPT2CPT1A
SCHEMBL7149875 0.98 CA4 (0.35) CA2CA4CPT2CPT1A
SCHEMBL509934 0.98 CA2 (0.32) CA2CA4CPT2CPT1A
Water SCHEMBL9243946 0.98 CA2 (0.32) CA2CA4CPT2CPT1A
Water SCHEMBL11495893 0.98 CA2 (0.32) CA2CA4CPT2CPT1A
Water SCHEMBL976877 0.98 CA2 (0.32) CA2CA4CPT2CPT1A
Water SCHEMBL8963366 0.97 CA4 (0.34) CA2CA4CPT2CPT1A
Water SCHEMBL8030606 0.97 CA4 (0.34) CA2CA4CPT2CPT1A
Water SCHEMBL2170087 0.97 CA2 (0.31) CA2CA4CPT2CPT1A
SCHEMBL11131358 0.96 CPT2 (0.32) CPT2CPT1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2332421-B1 METHOD FOR PRODUCING MODIFIED MILK AJINOMOTO KK (JP) 2015-11-04 EP claimed
EP-2332421-A1 METHOD FOR PRODUCING MODIFIED MILK Ajinomoto Co., Inc. (JP) 2011-06-15 EP claimed
US-20020155963-A1 Non-solvent very low VOC formulation for removal of ink from printing presses and the like, and methods of using the same MICROBLEND LLC 2002-10-24 US claimed
EP-1198635-A1 DYED FABRIC MATERIAL, METHOD OF PRODUCING THE SAME AND USE OF THE FABRIC MATERIAL IN THE MANUFACTURE OF SPORTS BALLS MILLIKEN INDUSTRIALS LIMITED (GB) 2002-04-24 EP claimed
WO-2000079038-A1 DYED FABRIC MATERIAL, METHOD OF PRODUCING THE SAME AND USE OF THE FABRIC MATERIAL IN THE MANUFACTURE OF SPORTS BALLS MILLIKEN INDUSTRIALS LIMITED (GB) 2000-12-28 WO claimed
US-5786317-A MIXTURE OF ALKALI METAL SILICATE, ALCOHOL, SEQUESTERING AGENT, SURFACTANT, SODIUM BISULFITE REDUCING AGENT AND WATER TOWNSEND CLINT E (US) 1998-07-28 US claimed
US-5490865-A Method of treating and dyeing animal fibers SCHEIWILLER JURG P (FR) 1996-02-13 US claimed
US-5034096-A Peroxide, oxide and/or oxygen as a bleaches, also cyanamide SKW TROSTBERG AKTIENGESELLSCHAFT (DE) 1991-07-23 US claimed
EP-0226114-B1 PROCESS FOR BLEACHING AND DELIGNIFICATION OF CELLULOSIC PRODUCTS SKW Trostberg Aktiengesellschaft (DE) 1990-07-11 EP claimed
EP-0131041-A4 TEST FOR AUTOIMMUNE RHEUMATOID ARTHRITIS. TEODORESCU MARIUS CONSTANTIN (US) 1988-01-11 EP claimed
US-4499186-A HYDROLYSIS OF SUBSTRATE UNIVERSITY OF ILLINOIS, BOARD OF TRUSTEES (US) 1985-02-12 US claimed
EP-0131041-A1 TEST FOR AUTOIMMUNE RHEUMATOID ARTHRITIS TEODORESCU, Marius Constantin (US) 1985-01-16 EP claimed
WO-1984002778-A1 TEST FOR AUTOIMMUNE RHEUMATOID ARTHRITIS TEODORESCU MARIUS CONSTANTIN 1984-07-19 WO claimed
US-4324797-A WATER SOLUBLE, CHELATING AGENT, STABILITY SEIICHI ISHIZAKA, DIRECTOR GENERAL OF AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 1982-04-13 US claimed
US-4305836-A BUILDER IS A SALT OF IMIDOBISSULFURIC ACID KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1981-12-15 US claimed
US-4238346-A ALKALI METAL ALUMINOSILICATES MIZUSAWA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1980-12-09 US claimed
JP-59020461-A None JP disclosed
JP-63112637-A None JP disclosed
US-3960743-A PEROXIDE, ACTIVATION AGENT KAO SOAP CO., LTD. (JA) 1976-06-01 US disclosed
US-3957670-A ACYLATED OXAMIDE HOECHST AKTIENGESELLSCHAFT (DT) 1976-05-18 US disclosed