SCHEMBL8005191

SCHEMBL8005191

CCCCCCCCC=CCCCCCCCCOCC(COCCCCCCCCCCCCCCCC)OC(=O)NCCN(C)C

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.48
LPAR1 Q92633 2/20 0.44
LPAR3 Q9UBY5 2/20 0.44
DNM1 Q05193 1/20 0.44

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
SCHEMBL8016299 1.00 EPHX2 (0.48) EPHX2LPAR1LPAR3DNM1
SCHEMBL8016300 1.00 EPHX2 (0.48) EPHX2LPAR1LPAR3DNM1
SCHEMBL8005186 1.00 EPHX2 (0.48) EPHX2LPAR1LPAR3DNM1
SCHEMBL8017711 0.97 ALDH1A1 (0.46) EPHX2
SCHEMBL8016369 0.97 ALDH1A1 (0.46) EPHX2
SCHEMBL8013992 0.94 EPHX2 (0.48) EPHX2LPAR1LPAR3DNM1
SCHEMBL8013997 0.94 EPHX2 (0.48) EPHX2LPAR1LPAR3DNM1
SCHEMBL8015630 0.93 EPHX2 (0.50) EPHX2LPAR1LPAR3
SCHEMBL8015628 0.93 EPHX2 (0.50) EPHX2LPAR1LPAR3
SCHEMBL8017594 0.93 DNM1 (0.50) DNM1

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