SCHEMBL11084346

SCHEMBL11084346

CCCCCCCCc1ccc(CCCCCCCCSCC(COP(=O)(O)O)OC)cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 13/20 0.57
S1PR4 O95977 12/20 0.57
S1PR3 Q99500 10/20 0.57
S1PR2 O95136 3/20 0.57
S1PR5 Q9H228 11/20 0.51
ENPP2 Q13822 5/20 0.48
PRKD3 O94806 2/20 0.44
PRKCG P05129 2/20 0.44
PRKCB P05771 2/20 0.44
PRKCA P17252 2/20 0.44
PRKCH P24723 2/20 0.44
PRKCI P41743 2/20 0.44
PRKCE Q02156 2/20 0.44
PRKCQ Q04759 2/20 0.44
PRKCZ Q05513 2/20 0.44
PRKCD Q05655 2/20 0.44
PRKD1 Q15139 2/20 0.44

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 0.89 ENPP2 (0.58) ENPP2PRKD3PRKCGPRKCBPRKCA
SCHEMBL8677600 0.89 ENPP2 (0.58) ENPP2PRKD3PRKCGPRKCBPRKCA
SCHEMBL11078070 0.89 ENPP2 (0.58) ENPP2PRKD3PRKCGPRKCBPRKCA
Phosphoric Acid SCHEMBL11084345 0.86 ENPP2 (0.48) S1PR1S1PR4S1PR3S1PR2S1PR5
SCHEMBL11087665 0.83 LPAR3 (0.59) ENPP2PRKD3PRKCGPRKCBPRKCA
SCHEMBL11085679 0.83 LPAR3 (0.59) ENPP2PRKD3PRKCGPRKCBPRKCA
SCHEMBL11089242 0.82 ENPP2 (0.63) S1PR1S1PR4S1PR3S1PR2S1PR5
SCHEMBL11090320 0.81 ENPP2 (0.44) S1PR1S1PR4S1PR3S1PR2ENPP2
SCHEMBL11088836 0.81 ENPP2 (0.60) S1PR1S1PR4S1PR3S1PR2S1PR5
SCHEMBL11090082 0.81 ENPP2 (0.50) 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 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