SCHEMBL8004582

SCHEMBL8004582

CCCCCCCCC=CCCCCCCCCOCC(COC(=O)NCCN1CCCCC1)OCCCCCCCCC=CCCCCCCCC

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.47
KDM4E B2RXH2 1/20 0.43
TLR2 O60603 6/20 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
SCHEMBL8004578 1.00 EPHX2 (0.47) EPHX2KDM4ETLR2
SCHEMBL8018045 0.99 EPHX2 (0.47) EPHX2KDM4ETLR2
SCHEMBL8018043 0.99 EPHX2 (0.47) EPHX2KDM4ETLR2
SCHEMBL8015740 0.92 EPHX2 (0.47) EPHX2TLR2
SCHEMBL8015742 0.92 EPHX2 (0.47) EPHX2TLR2
SCHEMBL8014201 0.90 TLR2 (0.47) EPHX2TLR2
SCHEMBL8014199 0.90 TLR2 (0.47) EPHX2TLR2
SCHEMBL8017595 0.88 KDM4E (0.46) EPHX2KDM4E
SCHEMBL8017597 0.88 KDM4E (0.46) EPHX2KDM4E
SCHEMBL8013660 0.87 LPAR1 (0.41) KDM4ETLR2

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