SCHEMBL8005064

SCHEMBL8005064

CCCCCCCCC=CCCCCCCCCOCC(COC(=O)NCCN(CCO)CCO)OCCCCCCCCC=CCCCCCCCC

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.46
CNR1 P21554 2/20 0.42
CNR2 P34972 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TLR2 O60603 1/20 0.41
LPAR1 Q92633 2/20 0.40
LPAR3 Q9UBY5 2/20 0.40

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
SCHEMBL8005059 1.00 EPHX2 (0.46) EPHX2CNR1CNR2ALDH1A1TLR2
SCHEMBL8013366 0.96 EPHX2 (0.44) EPHX2CNR1CNR2ALDH1A1TLR2
SCHEMBL8013368 0.96 EPHX2 (0.44) EPHX2CNR1CNR2ALDH1A1TLR2
SCHEMBL8014045 0.94 EPHX2 (0.47) EPHX2CNR1CNR2TLR2LPAR1
SCHEMBL8014049 0.94 EPHX2 (0.47) EPHX2CNR1CNR2TLR2LPAR1
SCHEMBL8015677 0.94 EPHX2 (0.47) EPHX2TLR2LPAR1LPAR3
SCHEMBL8015680 0.94 EPHX2 (0.47) EPHX2TLR2LPAR1LPAR3
SCHEMBL3239972 0.92 EPHX2 (0.47) EPHX2TLR2LPAR1LPAR3
SCHEMBL3239966 0.92 EPHX2 (0.47) EPHX2TLR2LPAR1LPAR3
SCHEMBL8016385 0.91 EPHX2 (0.45) EPHX2CNR1CNR2ALDH1A1

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 5 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
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