SCHEMBL8016091

SCHEMBL8016091

CCCCCCCCC=CCCCCCCCCOCC(CNC(=S)OCCN1CCCC1)OCCCCCCCCC=CCCCCCCCC

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 13/20 0.43
LPAR1 Q92633 3/20 0.41
LPAR3 Q9UBY5 3/20 0.41
ALDH1A1 P00352 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
LPAR2 Q9HBW0 1/20 0.37

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
SCHEMBL8016088 1.00 TLR2 (0.43) TLR2LPAR1LPAR3ALDH1A1CNR1
SCHEMBL8017888 0.89 TLR2 (0.48) TLR2
SCHEMBL8017899 0.89 TLR2 (0.48) TLR2
SCHEMBL8014036 0.88 TLR2 (0.48) TLR2
SCHEMBL8014027 0.88 TLR2 (0.48) TLR2
SCHEMBL8013665 0.86 LPAR1 (0.41) TLR2LPAR1LPAR3ALDH1A1CNR1
SCHEMBL8013660 0.86 LPAR1 (0.41) TLR2LPAR1LPAR3ALDH1A1CNR1
SCHEMBL8014229 0.83 LPAR1 (0.41) LPAR1LPAR3LPAR2
SCHEMBL8014240 0.83 LPAR1 (0.41) LPAR1LPAR3LPAR2
SCHEMBL8014292 0.82 TLR2 (0.58) TLR2LPAR1

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