SCHEMBL11090707

SCHEMBL11090707

CCCCCCCCCCCCCCCCS(=O)(=O)CC(C)COP(=O)(O)O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LPAR5 Q9H1C0 2/20 0.47
LPAR3 Q9UBY5 6/20 0.46
LPAR1 Q92633 5/20 0.46
LPAR2 Q9HBW0 3/20 0.46
SGPL1 O95470 4/20 0.45
ENPP2 Q13822 5/20 0.43
LPAR6 P43657 1/20 0.43
LPAR4 Q99677 1/20 0.43
S1PR2 O95136 2/20 0.43
S1PR1 P21453 2/20 0.43
S1PR3 Q99500 2/20 0.43
S1PR5 Q9H228 1/20 0.43
SMPD1 P17405 1/20 0.42

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
SCHEMBL11089390 1.00 LPAR5 (0.47) LPAR5LPAR3LPAR1LPAR2SGPL1
SCHEMBL11077167 0.85 LPAR5 (0.57) LPAR5LPAR3LPAR1LPAR2SGPL1
SCHEMBL11083665 0.84 LPAR3 (0.46) LPAR5LPAR3LPAR1LPAR2SGPL1
SCHEMBL11090225 0.82 ENPP2 (0.57) LPAR5LPAR3LPAR1LPAR2SGPL1
SCHEMBL11127519 0.81 FABP3 (0.51)
SCHEMBL11126107 0.81 FABP3 (0.51)
Phosphoric Acid SCHEMBL11089388 0.80 CES1 (0.42) LPAR3LPAR2SMPD1
Phosphoric Acid SCHEMBL11090703 0.80 CES1 (0.42) LPAR3LPAR2SMPD1
SCHEMBL8976731 0.78 CA2 (0.54)
SCHEMBL29068432 0.77 SGPL1 (0.55) LPAR5LPAR3LPAR1LPAR2SGPL1

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