SCHEMBL8012893

SCHEMBL8012893

CCCCCCCC/C=C\CCCCCCCCOCC(COC(=S)NCCN(CCO)CCO)OCCCCCCCC/C=C\CCCCCCCC

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.42
CNR2 P34972 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LPAR1 Q92633 6/20 0.42
LPAR3 Q9UBY5 6/20 0.42
LPAR2 Q9HBW0 1/20 0.40
TLR2 O60603 3/20 0.36
EPHX2 P34913 1/20 0.36

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
SCHEMBL8012901 1.00 CNR1 (0.42) CNR1CNR2ALDH1A1LPAR1LPAR3
SCHEMBL8013335 0.92 LPAR1 (0.43) CNR1CNR2ALDH1A1LPAR1LPAR3
SCHEMBL8013330 0.92 LPAR1 (0.43) CNR1CNR2ALDH1A1LPAR1LPAR3
SCHEMBL8013653 0.89 LPAR1 (0.44) CNR1CNR2ALDH1A1LPAR1LPAR3
SCHEMBL8013649 0.89 LPAR1 (0.44) CNR1CNR2ALDH1A1LPAR1LPAR3
SCHEMBL8005059 0.88 EPHX2 (0.46) CNR1CNR2ALDH1A1LPAR1LPAR3
SCHEMBL8005064 0.88 EPHX2 (0.46) CNR1CNR2ALDH1A1LPAR1LPAR3
SCHEMBL8014012 0.87 LPAR1 (0.45) CNR1CNR2ALDH1A1LPAR1LPAR3
SCHEMBL8014018 0.87 LPAR1 (0.45) CNR1CNR2ALDH1A1LPAR1LPAR3
SCHEMBL8005259 0.86 TLR2 (0.43) CNR1CNR2ALDH1A1LPAR1LPAR3

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