SCHEMBL8004603

SCHEMBL8004603

CCCCCCCC/C=C\CCCCCCCCOCC(COC(=O)NCCCN(CC)CC)OCCCCCCCC/C=C\CCCCCCCC

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.49
TLR2 O60603 1/20 0.42
ACHE P22303 2/20 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
SCHEMBL8004605 1.00 EPHX2 (0.49) EPHX2TLR2ACHE
SCHEMBL3239972 0.95 EPHX2 (0.47) EPHX2TLR2
SCHEMBL3239966 0.95 EPHX2 (0.47) EPHX2TLR2
SCHEMBL8013368 0.91 EPHX2 (0.44) EPHX2TLR2
SCHEMBL8013366 0.91 EPHX2 (0.44) EPHX2TLR2
SCHEMBL8015677 0.91 EPHX2 (0.47) EPHX2TLR2
SCHEMBL8015680 0.91 EPHX2 (0.47) EPHX2TLR2
SCHEMBL8013982 0.91 EPHX2 (0.50) EPHX2TLR2
SCHEMBL8013985 0.91 EPHX2 (0.50) EPHX2TLR2
SCHEMBL24659215 0.90 EPHX2 (0.56) EPHX2TLR2ACHE

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