SCHEMBL8014391

SCHEMBL8014391

CCCCCCCC/C=C\CCCCCCCCOCC(COCCCCCCCC/C=C\CCCCCCCC)OC(=O)NCCN(CCC)CCC

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.46
LPAR1 Q92633 2/20 0.44
LPAR3 Q9UBY5 2/20 0.44
FAAH O00519 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL8014393 1.00 EPHX2 (0.46) EPHX2LPAR1LPAR3FAAHALDH1A1
SCHEMBL8004056 0.95 EPHX2 (0.46) EPHX2LPAR1LPAR3FAAHALDH1A1
SCHEMBL8004059 0.95 EPHX2 (0.46) EPHX2LPAR1LPAR3FAAHALDH1A1
SCHEMBL8012800 0.93 EPHX2 (0.44) EPHX2LPAR1LPAR3
SCHEMBL8161138 0.93 EPHX2 (0.44) EPHX2LPAR1LPAR3
SCHEMBL8016381 0.93 EPHX2 (0.46) EPHX2LPAR1LPAR3FAAH
SCHEMBL5659210 0.93 EPHX2 (0.46) EPHX2LPAR1LPAR3FAAH
SCHEMBL8020250 0.90 EPHX2 (0.43) EPHX2LPAR1LPAR3
SCHEMBL8020247 0.90 EPHX2 (0.43) EPHX2LPAR1LPAR3
SCHEMBL8005191 0.89 EPHX2 (0.48) EPHX2LPAR1LPAR3

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