SCHEMBL11079228

SCHEMBL11079228

CCCCCCCCCCCCCCCCSCC(COP(=O)(O)O)OCCOC

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 11/20 0.57
LPAR1 Q92633 9/20 0.57
ENPP2 Q13822 6/20 0.47
LPAR5 Q9H1C0 3/20 0.45
LPAR2 Q9HBW0 5/20 0.44
LPAR6 P43657 2/20 0.44
LPAR4 Q99677 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
PRKD3 O94806 2/20 0.43
PRKCG P05129 2/20 0.43
PRKCB P05771 2/20 0.43
PRKCA P17252 2/20 0.43
PRKCH P24723 2/20 0.43
PRKCI P41743 2/20 0.43
PRKCE Q02156 2/20 0.43
PRKCQ Q04759 2/20 0.43
PRKCZ Q05513 2/20 0.43
PRKCD Q05655 2/20 0.43
PRKD1 Q15139 2/20 0.43

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
SCHEMBL5081834 0.92 LPAR3 (0.68) LPAR3LPAR1ENPP2LPAR5LPAR2
SCHEMBL1739832 0.92 LPAR3 (0.68) LPAR3LPAR1ENPP2LPAR5LPAR2
SCHEMBL14032166 0.92 LPAR3 (0.68) LPAR3LPAR1ENPP2LPAR5LPAR2
SCHEMBL11082621 0.90 LPAR3 (0.57) LPAR3LPAR1ENPP2LPAR5LPAR2
SCHEMBL11083607 0.88 LPAR3 (0.56) LPAR3LPAR1ENPP2LPAR5LPAR2
SCHEMBL11091806 0.88 LPAR3 (0.56) LPAR3LPAR1ENPP2LPAR5LPAR2
SCHEMBL11079136 0.88 LPAR3 (0.54) LPAR3LPAR1ENPP2LPAR5LPAR2
SCHEMBL4747959 0.88 LPAR3 (0.54) LPAR3LPAR1ENPP2LPAR5LPAR2
SCHEMBL11088254 0.88 LPAR3 (0.54) LPAR3LPAR1ENPP2LPAR5LPAR2
SCHEMBL11081544 0.88 LPAR3 (0.54) LPAR3LPAR1ENPP2LPAR5LPAR2

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

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