SCHEMBL28007295

SCHEMBL28007295

CCCCCCCC/C=C\CCCCCCCC(=O)OC(CO)COP(=O)(O)OCC[N+](C)(C)C

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 1/20 0.72
S1PR1 P21453 1/20 0.67
SELP P16109 1/20 0.61
ALDH1A1 P00352 1/20 0.61
PRKCA P17252 2/20 0.60
PRKCE Q02156 1/20 0.60
PRKCQ Q04759 1/20 0.60
PRKCD Q05655 1/20 0.60
GPR55 Q9Y2T6 2/20 0.59
DAGLA Q9Y4D2 1/20 0.59
LPAR1 Q92633 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.57
NR5A2 O00482 1/20 0.57
NR5A1 Q13285 1/20 0.57
P2RY10 O00398 2/20 0.55
GPR34 Q9UPC5 1/20 0.55

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
SCHEMBL28505996 0.94 FABP3 (0.81) FABP3S1PR1SELPALDH1A1PRKCA
SCHEMBL31106468 0.94 FABP3 (0.81) FABP3S1PR1SELPALDH1A1PRKCA
SCHEMBL30842177 0.94 FABP3 (0.81) FABP3S1PR1SELPALDH1A1PRKCA
SCHEMBL31362195 0.94 FABP3 (0.81) FABP3S1PR1SELPALDH1A1PRKCA
SCHEMBL31425003 0.94 FABP3 (0.81) FABP3S1PR1SELPALDH1A1PRKCA
SCHEMBL21680883 0.94 FABP3 (0.81) FABP3S1PR1SELPALDH1A1PRKCA
SCHEMBL28505997 0.94 FABP3 (0.81) FABP3S1PR1SELPALDH1A1PRKCA
SCHEMBL30605184 0.94 FABP3 (0.81) FABP3S1PR1SELPALDH1A1PRKCA
SCHEMBL31400386 0.94 FABP3 (0.81) FABP3S1PR1SELPALDH1A1PRKCA
SCHEMBL9611246 0.94 FABP3 (0.81) FABP3S1PR1SELPALDH1A1PRKCA

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
CN-104364658-A Methods for diagnosing chronic valvular disease NESTEC SA 2015-02-18 CN claimed
CN-104364658-A Methods for diagnosing chronic valvular disease NESTEC SA 2015-02-18 CN disclosed