SCHEMBL11549671

SCHEMBL11549671

CC(C)CCCCCOP(=S)([S-])OCCCCCC(C)C.[Na+]

nearest known ligand 0.35

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 8)

geneUniProtsupporting neighboursconfidence
CA12 known ✓ O43570 1/20 0.31
CA1 known ✓ P00915 1/20 0.31
CA2 known ✓ P00918 1/20 0.31
LPAR2 Q9HBW0 6/20 0.35
LPAR3 Q9UBY5 6/20 0.35
LMNA P02545 1/20 0.34
CA9 Q16790 1/20 0.31
LPAR1 Q92633 1/20 0.30

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
SCHEMBL11227682 0.96 LPAR2 (0.35) LPAR2LPAR3LMNACA12CA1
SCHEMBL11142808 0.96 LPAR2 (0.35) LPAR2LPAR3LMNACA12CA1
SCHEMBL9851900 0.96 LPAR2 (0.35) LPAR2LPAR3LMNACA12CA1
Zinc Ion SCHEMBL486867 0.96 LPAR2 (0.35) LPAR2LPAR3LMNACA12CA1
SCHEMBL9851918 0.96 LPAR2 (0.35) LPAR2LPAR3LMNACA12CA1
Zinc Ion SCHEMBL129836 0.96 LPAR2 (0.35) LPAR2LPAR3LMNACA12CA1
Zinc Ion SCHEMBL3268451 0.96 LPAR2 (0.35) LPAR2LPAR3LMNACA12CA1
Zinc Ion SCHEMBL4114581 0.89 LPAR2 (0.32) LPAR2LPAR3LMNA
Zinc Ion SCHEMBL731411 0.89 LPAR3 (0.43) LPAR2LPAR3LMNACA12CA1
Zinc Ion SCHEMBL3369903 0.88 CA12 (0.33) LMNACA12CA1CA2CA9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE30142-E FOR LUBRICANTS THE LUBRIZOL CORPORATION (US) 1979-11-06 US disclosed
US-4070385-A HYDRAULIC FLUID ADDITIVES THE LUBRIZOL CORPORATION (US) 1978-01-24 US disclosed
US-4026812-A HYDRAULIC FLUIDS, OIL IN WATER EMULSIONS THE LUBRIZOL CORPORATION (US) 1977-05-31 US disclosed