SCHEMBL8014229

SCHEMBL8014229

CCCCCCCC/C=C\CCCCCCCCOCC(COCCCCCCCC/C=C\CCCCCCCC)NC(=S)OCCN1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 3/20 0.41
LPAR3 Q9UBY5 3/20 0.41
PLA2G2C Q5R387 4/20 0.38
LTA4H P09960 1/20 0.38
LPAR2 Q9HBW0 1/20 0.35
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL8014240 1.00 LPAR1 (0.41) LPAR1LPAR3PLA2G2CLTA4HLPAR2
SCHEMBL8004679 0.88 PLA2G2C (0.44) LPAR1LPAR3PLA2G2C
SCHEMBL8004689 0.88 PLA2G2C (0.44) LPAR1LPAR3PLA2G2C
SCHEMBL8018071 0.87 PLA2G2C (0.43) PLA2G2C
SCHEMBL8018062 0.87 PLA2G2C (0.43) PLA2G2C
SCHEMBL8014235 0.85 DGKA (0.47) LPAR1LPAR3LPAR2
SCHEMBL8016364 0.85 DGKA (0.47) LPAR1LPAR3LPAR2
SCHEMBL8016088 0.83 TLR2 (0.43) LPAR1LPAR3LPAR2
SCHEMBL8016091 0.83 TLR2 (0.43) LPAR1LPAR3LPAR2
SCHEMBL8005053 0.80 LPAR1 (0.44) LPAR1LPAR3PLA2G2CLPAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0685234-B1 DRUG COMPOSITION CONTAINING NUCLEIC ACID COPOLYMER NIPPON SHINYAKU CO LTD (JP) 2000-05-10 EP disclosed
US-6020317-A Glycerol derivative, device and pharmaceutical composition NIPPON SHINYAKU CO. LTD. (JP) 2000-02-01 US disclosed
EP-0685457-B1 GLYCEROL DERIVATIVE, DEVICE AND PHARMACEUTICAL COMPOSITION NIPPON SHINYAKU CO LTD (JP) 1999-12-15 EP disclosed
US-5705188-A LIPID MIXTURE, ANTITUMOR AGENTS NIPPON SHINYAKU COMPANY, LTD. (JP) 1998-01-06 US disclosed
EP-0685457-A1 GLYCEROL DERIVATIVE, DEVICE AND PHARMACEUTICAL COMPOSITION NIPPON SHINYAKU COMPANY, LIMITED (JP) 1995-12-06 EP disclosed
EP-0685234-A1 DRUG COMPOSITION CONTAINING NUCLEIC ACID COPOLYMER NIPPON SHINYAKU COMPANY, LIMITED (JP) 1995-12-06 EP disclosed