SCHEMBL8014012

SCHEMBL8014012

CCCCCCCC/C=C\CCCCCCCCOCC(COCCCCCCCC/C=C\CCCCCCCC)OC(=S)NCCN(CCO)CCO

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 3/20 0.45
LPAR3 Q9UBY5 3/20 0.45
EPHX2 P34913 2/20 0.38
ALDH1A1 P00352 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
LPAR2 Q9HBW0 1/20 0.36

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
SCHEMBL8014018 1.00 LPAR1 (0.45) LPAR1LPAR3EPHX2ALDH1A1CNR1
SCHEMBL8020693 0.91 LPAR1 (0.46) LPAR1LPAR3EPHX2ALDH1A1LPAR2
SCHEMBL8020690 0.91 LPAR1 (0.46) LPAR1LPAR3EPHX2ALDH1A1LPAR2
SCHEMBL8012820 0.87 LPAR1 (0.47) LPAR1LPAR3EPHX2ALDH1A1LPAR2
SCHEMBL8012814 0.87 LPAR1 (0.47) LPAR1LPAR3EPHX2ALDH1A1LPAR2
SCHEMBL8012893 0.87 CNR1 (0.42) LPAR1LPAR3EPHX2ALDH1A1CNR1
SCHEMBL8012901 0.87 CNR1 (0.42) LPAR1LPAR3EPHX2ALDH1A1CNR1
SCHEMBL8161138 0.87 EPHX2 (0.44) LPAR1LPAR3EPHX2
SCHEMBL8012800 0.87 EPHX2 (0.44) LPAR1LPAR3EPHX2
SCHEMBL8013922 0.84 PRKCA (0.56) LPAR1LPAR3EPHX2ALDH1A1CNR2

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 5 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
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