SCHEMBL9547481

SCHEMBL9547481

CCCCCCCC/C=C\CCCCCCCCOC(O)CCO

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.55
ALDH1A1 P00352 1/20 0.55
CNR1 P21554 1/20 0.55
LPAR2 Q9HBW0 3/20 0.46
LPAR3 Q9UBY5 3/20 0.46
LPAR1 Q92633 2/20 0.46
DGKA P23743 1/20 0.46
TRPV1 Q8NER1 1/20 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
SCHEMBL9816488 0.90 ALDH1A1 (0.54) CNR2ALDH1A1CNR1LPAR2LPAR3
SCHEMBL482608 0.90 ALDH1A1 (0.54) CNR2ALDH1A1CNR1LPAR2LPAR3
SCHEMBL15817629 0.90 ALDH1A1 (0.54) CNR2ALDH1A1CNR1LPAR2LPAR3
SCHEMBL1053426 0.90 ALDH1A1 (0.54) CNR2ALDH1A1CNR1LPAR2LPAR3
SCHEMBL7595622 0.89 USP2 (0.50) CNR2ALDH1A1CNR1
SCHEMBL15417920 0.89 USP2 (0.50) CNR2ALDH1A1CNR1
SCHEMBL10339404 0.88 USP2 (0.47) CNR2ALDH1A1CNR1
Ethylene Glycol SCHEMBL17199806 0.87 CNR2 (0.55) CNR2ALDH1A1CNR1LPAR2LPAR3
SCHEMBL14374273 0.86 ALDH1A1 (0.63) CNR2ALDH1A1CNR1LPAR2LPAR3
SCHEMBL3433294 0.86 ALDH1A1 (0.63) CNR2ALDH1A1CNR1LPAR2LPAR3

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
WO-1993022423-A1 NUTRIENT PHOSPHOLIPIDS FOR PATHOGENIC BACTERIA MICROCARB INC. (US) 1993-11-11 WO disclosed