SCHEMBL11079136

SCHEMBL11079136

CCCCCCCCCCCCCCCCSCC(COP(=O)(O)O)OCC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 9/20 0.54
LPAR1 Q92633 7/20 0.54
ENPP2 Q13822 7/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
LPAR5 Q9H1C0 2/20 0.44
LPAR2 Q9HBW0 3/20 0.44
PRKD3 O94806 2/20 0.42
PRKCG P05129 2/20 0.42
PRKCB P05771 2/20 0.42
PRKCA P17252 2/20 0.42
PRKCH P24723 2/20 0.42
PRKCI P41743 2/20 0.42
PRKCE Q02156 2/20 0.42
PRKCQ Q04759 2/20 0.42
PRKCZ Q05513 2/20 0.42
PRKCD Q05655 2/20 0.42
PRKD1 Q15139 2/20 0.42
LPAR6 P43657 1/20 0.42
LPAR4 Q99677 1/20 0.42
S1PR2 O95136 1/20 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
SCHEMBL11081544 1.00 LPAR3 (0.54) LPAR3LPAR1ENPP2SMN1; SMN2LPAR5
SCHEMBL4747959 1.00 LPAR3 (0.54) LPAR3LPAR1ENPP2SMN1; SMN2LPAR5
SCHEMBL11088254 1.00 LPAR3 (0.54) LPAR3LPAR1ENPP2SMN1; SMN2LPAR5
SCHEMBL14032166 0.90 LPAR3 (0.68) LPAR3LPAR1ENPP2SMN1; SMN2LPAR5
SCHEMBL1739832 0.90 LPAR3 (0.68) LPAR3LPAR1ENPP2SMN1; SMN2LPAR5
SCHEMBL5081834 0.90 LPAR3 (0.68) LPAR3LPAR1ENPP2SMN1; SMN2LPAR5
SCHEMBL11082621 0.88 LPAR3 (0.57) LPAR3LPAR1ENPP2SMN1; SMN2LPAR5
SCHEMBL11079228 0.88 LPAR3 (0.57) LPAR3LPAR1ENPP2SMN1; SMN2LPAR5
SCHEMBL8677600 0.87 ENPP2 (0.58) LPAR3LPAR1ENPP2SMN1; SMN2LPAR5
SCHEMBL11078070 0.87 ENPP2 (0.58) LPAR3LPAR1ENPP2SMN1; SMN2LPAR5

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