SCHEMBL1069871

SCHEMBL1069871

C=CCCCOOS(=O)(=O)[O-].[Na+]

nearest known ligand 0.36

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 13)

geneUniProtsupporting neighboursconfidence
CA2 known ✓ P00918 1/20 0.36
CA9 Q16790 1/20 0.36
LPAR2 Q9HBW0 1/20 0.32
LPAR3 Q9UBY5 1/20 0.32
ALDH1A1 P00352 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
RECQL P46063 2/20 0.31
TSHR P16473 2/20 0.31
GLA P06280 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
EPHX2 P34913 1/20 0.31
BLM P54132 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
SCHEMBL3477178 0.79 TSHR (0.50) CA2CA9LPAR2LPAR3ALDH1A1
SCHEMBL28667870 0.78 CA2 (0.38) CA2CA9LPAR2LPAR3ALDH1A1
SCHEMBL21001017 0.74 CA12 (0.33) CA2CA9
SCHEMBL28228149 0.73 TSHR (0.59) ALDH1A1RECQLTSHRGLAHPGD
SCHEMBL16148879 0.72 TSHR (0.57) CA2CA9LPAR2LPAR3ALDH1A1
SCHEMBL31031689 0.72 TSHR (0.57) CA2CA9LPAR2LPAR3ALDH1A1
SCHEMBL28380011 0.72 TSHR (0.57) CA2CA9LPAR2LPAR3ALDH1A1
SCHEMBL7603245 0.69 RECQL (0.64) CA2CA9LPAR2LPAR3RECQL
Lithium Ion SCHEMBL1535459 0.69 CA2 (0.38) CA2CA9LPAR2LPAR3ALDH1A1
Potassium Ion SCHEMBL9492553 0.68 LPAR3 (0.40) LPAR2LPAR3ALDH1A1L3MBTL1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295595-A1 SUBTILASE VARIANTS AND POLYNUCLEOTIDES ENCODING SAME NOVOZYMES A/S (DK) 2023-09-21 US disclosed
US-11591586-B2 Subtilase variants and polynucleotides encoding same NOVOZYMES A/S (DK) 2023-02-28 US disclosed
US-20220411773-A1 POLYPEPTIDES HAVING PROTEOLYTIC ACTIVITY AND USE THEREOF NOVOZYMES A/S (DK) 2022-12-29 US disclosed
EP-3878960-A1 SUBTILASE VARIANTS AND POLYNUCLEOTIDES ENCODING SAME Novozymes A/S (DK) 2021-09-15 EP disclosed
US-20210253981-A1 CLEANING COMPOSITIONS AND USES THEREOF NOVOZYMES A/S (DK) 2021-08-19 US disclosed
US-11015183-B2 Subtilase variants with enhanced storage stability NOVOZYMES A/S (DK) 2021-05-25 US disclosed
US-20210130803-A1 SUBTILASE VARIANTS AND POLYNUCLEOTIDES ENCODING SAME NOVOZYMES A/S (DK) 2021-05-06 US disclosed
US-10920209-B2 Subtilase variants having improved storage stability NOVOZYMES A/S (DK) 2021-02-16 US disclosed
EP-3739029-A1 SUBTILASE VARIANTS AND POLYNUCLEOTIDES ENCODING SAME Novozymes A/S (DK) 2020-11-18 EP disclosed
EP-3725797-A1 STABILIZED LIQUID ENZYME COMPOSITIONS Novozymes A/S (DK) 2020-10-21 EP disclosed
WO-1998003622-A2 METHOD FOR ACTIVATION OF BLEACHES THE PROCTER & GAMBLE COMPANY (US) 1998-01-29 WO disclosed
WO-1998003621-A2 METHOD FOR STAIN REMOVAL ON FABRIC WITH DETERGENT COMPOSITIONS CONTAINING BLEACH THE PROCTER & GAMBLE COMPANY (US) 1998-01-29 WO disclosed
WO-1998003624-A2 SPRAYABLE, LIQUID OR GEL DETERGENT COMPOSITIONS CONTAINING BLEACH THE PROCTER & GAMBLE COMPANY (US) 1998-01-29 WO disclosed
WO-1998003623-A2 METHOD FOR STAIN REMOVAL ON HARD SURFACES WITH DETERGENT COMPOSITIONS CONTAINING BLEACH THE PROCTER & GAMBLE COMPANY (US) 1998-01-29 WO disclosed
EP-0652937-B1 PARTICULATE LAUNDRY DETERGENT COMPOSITIONS WITH POLYVINYL PYRROLIDONE PROCTER & GAMBLE (US) 1997-11-05 EP disclosed
EP-0652937-A1 PARTICULATE LAUNDRY DETERGENT COMPOSITIONS WITH POLYVINYL PYRROLIDONE THE PROCTER & GAMBLE COMPANY (US) 1995-05-17 EP disclosed
WO-1994003567-A2 PARTICULATE LAUNDRY DETERGENT COMPOSITIONS WITH POLYVINYL PYRROLIDONE THE PROCTER & GAMBLE COMPANY (US) 1994-02-17 WO disclosed
US-4478735-A SLURRYING, THEN SPRAY DRYING A SURFACTANT, ZEOLITE, ALKALI METAL SILICATE AND BUILDERS LION CORPORATION (JP) 1984-10-23 US disclosed
US-4163732-A AND WATER-SOLUBLE ORGANIC SURFACTANTS KAO SOAP CO., LTD. (JP) 1979-08-07 US disclosed
US-3998762-A Granular or powdery detergent composition KAO SOAP CO., LTD. (JA) 1976-12-21 US disclosed