SCHEMBL13111188

SCHEMBL13111188

CCCCCCCCCCCCCCCC(=O)O[C@H](COCO)COP(=O)(O)OC1C(O)[C@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)C(O)[C@@H]1O

nearest known ligand 0.80

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 1/20 0.79
NR5A2 O00482 1/20 0.70
NR5A1 Q13285 1/20 0.70
AKT1 P31749 3/20 0.67
PLCG2 P16885 1/20 0.65
GPR55 Q9Y2T6 3/20 0.61
LPAR3 Q9UBY5 4/20 0.54
LPAR1 Q92633 3/20 0.54
ENPP2 Q13822 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
AKT2 P31751 2/20 0.51
AKT3 Q9Y243 2/20 0.51
PIK3R1 P27986 1/20 0.51
PIK3CA P42336 1/20 0.51
S1PR1 P21453 1/20 0.48
FABP3 P05413 1/20 0.48

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
SCHEMBL13111076 1.00 SMPD1 (0.79) SMPD1NR5A2NR5A1AKT1PLCG2
SCHEMBL13111174 0.98 SMPD1 (0.79) SMPD1NR5A2NR5A1AKT1PLCG2
SCHEMBL13111089 0.98 SMPD1 (0.79) SMPD1NR5A2NR5A1AKT1PLCG2
SCHEMBL13111080 0.98 SMPD1 (0.79) SMPD1NR5A2NR5A1AKT1PLCG2
SCHEMBL13111065 0.98 SMPD1 (0.82) SMPD1NR5A2NR5A1AKT1PLCG2
SCHEMBL13111091 0.98 SMPD1 (0.79) SMPD1NR5A2NR5A1AKT1PLCG2
SCHEMBL13111424 0.92 SMPD1 (0.70) SMPD1NR5A2NR5A1AKT1PLCG2
SCHEMBL13111418 0.91 SMPD1 (0.72) SMPD1NR5A2NR5A1AKT1PLCG2
SCHEMBL23037461 0.91 SMPD1 (0.96) SMPD1NR5A2NR5A1AKT1PLCG2
SCHEMBL8821828 0.91 SMPD1 (0.96) SMPD1NR5A2NR5A1AKT1PLCG2

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-7820803-B2 Immobilized phosphatidic acid probe Holmes, Andrew Bruce (GB) 2010-10-26 US disclosed