SCHEMBL11085679

SCHEMBL11085679

CCCCCCCCCCCCOCCCCCSCC(COP(=O)(O)O)OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 10/20 0.59
LPAR1 Q92633 9/20 0.59
LPAR2 Q9HBW0 5/20 0.53
LPAR5 Q9H1C0 4/20 0.53
LPAR6 P43657 3/20 0.53
LPAR4 Q99677 3/20 0.53
ENPP2 Q13822 5/20 0.52
PRKD3 O94806 2/20 0.48
PRKCG P05129 2/20 0.48
PRKCB P05771 2/20 0.48
PRKCA P17252 2/20 0.48
PRKCH P24723 2/20 0.48
PRKCI P41743 2/20 0.48
PRKCE Q02156 2/20 0.48
PRKCQ Q04759 2/20 0.48
PRKCZ Q05513 2/20 0.48
PRKCD Q05655 2/20 0.48
PRKD1 Q15139 2/20 0.48
AKT1 P31749 2/20 0.47
AKT2 P31751 2/20 0.47

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
SCHEMBL11087665 1.00 LPAR3 (0.59) LPAR3LPAR1LPAR2LPAR5LPAR6
SCHEMBL11081529 0.97 LPAR3 (0.59) LPAR3LPAR1LPAR2LPAR5LPAR6
SCHEMBL11087950 0.93 ENPP2 (0.58) LPAR3LPAR1LPAR2LPAR5LPAR6
SCHEMBL8677600 0.93 ENPP2 (0.58) LPAR3LPAR1LPAR2LPAR5LPAR6
SCHEMBL11078070 0.93 ENPP2 (0.58) LPAR3LPAR1LPAR2LPAR5LPAR6
SCHEMBL11081353 0.88 ENPP2 (0.45) LPAR3LPAR1LPAR2LPAR5LPAR6
SCHEMBL11089242 0.86 ENPP2 (0.63) LPAR3LPAR1LPAR2LPAR5LPAR6
SCHEMBL11084243 0.85 ENPP2 (0.48) LPAR3LPAR1LPAR2LPAR5LPAR6
SCHEMBL14032166 0.85 LPAR3 (0.68) LPAR3LPAR1LPAR2LPAR5LPAR6
SCHEMBL1739832 0.85 LPAR3 (0.68) LPAR3LPAR1LPAR2LPAR5LPAR6

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