SCHEMBL8020693

SCHEMBL8020693

CCCCCCCCC=CCCCCCCCCOCC(COCCCCCCCCC=CCCCCCCCC)OC(=S)NCCN(CC)CC

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 3/20 0.46
LPAR3 Q9UBY5 3/20 0.46
EPHX2 P34913 1/20 0.39
LPAR2 Q9HBW0 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL8020690 1.00 LPAR1 (0.46) LPAR1LPAR3EPHX2LPAR2ALDH1A1
SCHEMBL8014012 0.91 LPAR1 (0.45) LPAR1LPAR3EPHX2LPAR2ALDH1A1
SCHEMBL8014018 0.91 LPAR1 (0.45) LPAR1LPAR3EPHX2LPAR2ALDH1A1
SCHEMBL8012820 0.89 LPAR1 (0.47) LPAR1LPAR3EPHX2LPAR2ALDH1A1
SCHEMBL8012814 0.89 LPAR1 (0.47) LPAR1LPAR3EPHX2LPAR2ALDH1A1
SCHEMBL8013335 0.87 LPAR1 (0.43) LPAR1LPAR3EPHX2LPAR2ALDH1A1
SCHEMBL8013330 0.87 LPAR1 (0.43) LPAR1LPAR3EPHX2LPAR2ALDH1A1
SCHEMBL8016381 0.86 EPHX2 (0.46) LPAR1LPAR3EPHX2
SCHEMBL5659210 0.86 EPHX2 (0.46) LPAR1LPAR3EPHX2
SCHEMBL8013002 0.84 PRKCA (0.56) LPAR1LPAR3ALDH1A1

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