SCHEMBL8736629

SCHEMBL8736629

CCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)[Se]P(=O)(O)O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 7/20 0.52
LPAR3 Q9UBY5 7/20 0.52
CETP P11597 4/20 0.49
LPAR2 Q9HBW0 4/20 0.46
LPAR5 Q9H1C0 4/20 0.41
LPAR6 P43657 3/20 0.41
LPAR4 Q99677 3/20 0.41
TLR2 O60603 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
SCHEMBL385051 0.89 LPAR1 (0.67) LPAR1LPAR3CETPLPAR2LPAR5
SCHEMBL31069863 0.89 LPAR1 (0.67) LPAR1LPAR3CETPLPAR2LPAR5
SCHEMBL25335565 0.89 LPAR1 (0.67) LPAR1LPAR3CETPLPAR2LPAR5
SCHEMBL10929587 0.86 LPAR1 (0.64) LPAR1LPAR3CETPLPAR2LPAR5
SCHEMBL8903456 0.86 LPAR1 (0.51) LPAR1LPAR3CETPLPAR2LPAR5
SCHEMBL30931378 0.85 LPAR1 (0.53) LPAR1LPAR3CETPLPAR2LPAR5
SCHEMBL11289762 0.84 LPAR1 (0.50) LPAR1LPAR3CETPLPAR2TLR2
SCHEMBL30866263 0.84 LPAR1 (0.53) LPAR1LPAR3CETPLPAR2TLR2
SCHEMBL11292726 0.84 LPAR1 (0.50) LPAR1LPAR3CETPLPAR2TLR2
SCHEMBL10605748 0.83 PLA2G10 (0.47) LPAR1LPAR3CETPLPAR2TLR2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0792275-A4 IMPROVED ANTIVIRAL PRODRUGS UNIV CALIFORNIA (US) 1998-02-25 EP claimed
US-5696277-A CYTOMEGALOVIRUS, HERPES VIRUS Hostetler, Karl Y. (US) 1997-12-09 US claimed
EP-0792275-A1 IMPROVED ANTIVIRAL PRODRUGS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1997-09-03 EP claimed
WO-1996015132-A1 IMPROVED ANTIVIRAL PRODRUGS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1996-05-23 WO claimed