SCHEMBL11077971

SCHEMBL11077971

CCCCCCCCCCCCCCCCCCCCS(=O)(=O)CCCOP(=O)(O)O

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 12/20 0.69
LPAR2 Q9HBW0 8/20 0.69
LPAR1 Q92633 6/20 0.69
LPAR5 Q9H1C0 1/20 0.45
SMPD1 P17405 3/20 0.44
CA2 P00918 1/20 0.44

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
SCHEMBL11091026 1.00 LPAR3 (0.69) LPAR3LPAR2LPAR1LPAR5SMPD1
SCHEMBL11083455 1.00 LPAR3 (0.69) LPAR3LPAR2LPAR1LPAR5SMPD1
SCHEMBL11091543 1.00 LPAR3 (0.69) LPAR3LPAR2LPAR1LPAR5SMPD1
SCHEMBL11086845 1.00 LPAR3 (0.69) LPAR3LPAR2LPAR1LPAR5SMPD1
SCHEMBL11089002 0.96 LPAR3 (0.75) LPAR3LPAR2LPAR1LPAR5SMPD1
SCHEMBL11086384 0.86 LPAR3 (0.56) LPAR3LPAR2LPAR1LPAR5SMPD1
Phosphoric Acid Monododecyl Ester SCHEMBL21824296 0.83 LPAR3 (0.84) LPAR3LPAR2LPAR1LPAR5
SCHEMBL8033780 0.82 LPAR3 (1.00) LPAR3LPAR2LPAR1LPAR5SMPD1
Phosphoric Acid Monododecyl Ester SCHEMBL9316956 0.82 LPAR3 (1.00) LPAR3LPAR2LPAR1LPAR5SMPD1
SCHEMBL22325599 0.82 LPAR3 (1.00) LPAR3LPAR2LPAR1LPAR5SMPD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4444766-A ANTITUMOR BOEHRINGER MANNHEIM GMBH (DE) 1984-04-24 US disclosed