SCHEMBL11078070

SCHEMBL11078070

CCCCCCCCCCCCCCCCCCSCC(COP(=O)(O)O)OC

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 6/20 0.58
PRKD3 O94806 3/20 0.54
PRKCG P05129 3/20 0.54
PRKCB P05771 3/20 0.54
PRKCA P17252 3/20 0.54
PRKCH P24723 3/20 0.54
PRKCI P41743 3/20 0.54
PRKCE Q02156 3/20 0.54
PRKCQ Q04759 3/20 0.54
PRKCZ Q05513 3/20 0.54
PRKCD Q05655 3/20 0.54
PRKD1 Q15139 3/20 0.54
LPAR3 Q9UBY5 10/20 0.51
LPAR1 Q92633 9/20 0.51
SMN1; SMN2 Q16637 1/20 0.47
LPAR5 Q9H1C0 4/20 0.46
LPAR2 Q9HBW0 4/20 0.46
LPAR6 P43657 3/20 0.46
LPAR4 Q99677 3/20 0.46

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
SCHEMBL11087950 1.00 ENPP2 (0.58) ENPP2PRKD3PRKCGPRKCBPRKCA
SCHEMBL8677600 1.00 ENPP2 (0.58) ENPP2PRKD3PRKCGPRKCBPRKCA
SCHEMBL11085679 0.93 LPAR3 (0.59) ENPP2PRKD3PRKCGPRKCBPRKCA
SCHEMBL11087665 0.93 LPAR3 (0.59) ENPP2PRKD3PRKCGPRKCBPRKCA
SCHEMBL11089242 0.92 ENPP2 (0.63) ENPP2LPAR3LPAR1LPAR5LPAR2
SCHEMBL11090082 0.91 ENPP2 (0.50) ENPP2PRKD3PRKCGPRKCBPRKCA
SCHEMBL11081529 0.91 LPAR3 (0.59) ENPP2PRKD3PRKCGPRKCBPRKCA
SCHEMBL11084346 0.89 S1PR1 (0.57) ENPP2PRKD3PRKCGPRKCBPRKCA
SCHEMBL11088836 0.89 ENPP2 (0.60) ENPP2LPAR3LPAR1LPAR5LPAR2
SCHEMBL11084243 0.89 ENPP2 (0.48) ENPP2PRKD3PRKCGPRKCBPRKCA

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