SCHEMBL8016369

SCHEMBL8016369

CCCCC/C=C\C/C=C\CCCCCCCCOCC(COCCCCCCCC/C=C\C/C=C\CCCCC)OC(=O)NCCN(C)C

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
EPHX2 P34913 2/20 0.46

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
SCHEMBL8017711 1.00 ALDH1A1 (0.46) ALDH1A1EPHX2
SCHEMBL8016299 0.97 EPHX2 (0.48) EPHX2
SCHEMBL8016300 0.97 EPHX2 (0.48) EPHX2
SCHEMBL8005191 0.97 EPHX2 (0.48) EPHX2
SCHEMBL8005186 0.97 EPHX2 (0.48) EPHX2
SCHEMBL8020834 0.94 ALDH1A1 (0.41) ALDH1A1EPHX2
SCHEMBL8013997 0.91 EPHX2 (0.48) EPHX2
SCHEMBL8013992 0.91 EPHX2 (0.48) EPHX2
SCHEMBL8015630 0.90 EPHX2 (0.50) EPHX2
SCHEMBL8015628 0.90 EPHX2 (0.50) EPHX2

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