SCHEMBL9456741

SCHEMBL9456741

CCCCCC/C=C\CCCCCCCCOCC(COCCCCCCCC/C=C\CCCCCC)OCCCCCCCC/C=C\CCCCCCCC

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.60
CNR1 P21554 1/20 0.60
CNR2 P34972 1/20 0.60
LPAR1 Q92633 6/20 0.57
LPAR3 Q9UBY5 6/20 0.57
LPAR2 Q9HBW0 1/20 0.57

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
SCHEMBL9718643 1.00 ALDH1A1 (0.60) ALDH1A1CNR1CNR2LPAR1LPAR3
SCHEMBL3257919 1.00 ALDH1A1 (0.60) ALDH1A1CNR1CNR2LPAR1LPAR3
SCHEMBL4094354 1.00 ALDH1A1 (0.60) ALDH1A1CNR1CNR2LPAR1LPAR3
SCHEMBL2782946 1.00 ALDH1A1 (0.60) ALDH1A1CNR1CNR2LPAR1LPAR3
SCHEMBL9718660 1.00 ALDH1A1 (0.60) ALDH1A1CNR1CNR2LPAR1LPAR3
SCHEMBL4094364 1.00 ALDH1A1 (0.60) ALDH1A1CNR1CNR2LPAR1LPAR3
SCHEMBL9718817 1.00 ALDH1A1 (0.60) ALDH1A1CNR1CNR2LPAR1LPAR3
SCHEMBL4199161 1.00 ALDH1A1 (0.60) ALDH1A1CNR1CNR2LPAR1LPAR3
SCHEMBL2782935 1.00 ALDH1A1 (0.60) ALDH1A1CNR1CNR2LPAR1LPAR3
SCHEMBL4196801 1.00 ALDH1A1 (0.60) ALDH1A1CNR1CNR2LPAR1LPAR3

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-5204251-A Reacting a fat or oil and low alcohol ester of fatty acid in the presence of lipase KANEGAFUCHI KAGAKU KOGYO & KABUSHIKI KAISHA (JP) 1993-04-20 US disclosed