SCHEMBL11548518

SCHEMBL11548518

[CH]=C[C@@H](CCCCC)OC(C)=O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
FAAH O00519 2/20 0.39
GALR3 O60755 1/20 0.37
GLS2 Q9UI32 1/20 0.37
PRKCA P17252 2/20 0.37
GPR84 Q9NQS5 3/20 0.37
FFAR1 O14842 1/20 0.37
CA1 P00915 1/20 0.37
ZDHHC7 Q9NXF8 1/20 0.37
MAPT P10636 1/20 0.36
TP53 P04637 1/20 0.36
LAP3 P28838 1/20 0.36

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
SCHEMBL11546096 1.00 ALDH1A1 (0.41) ALDH1A1FAAHGALR3GLS2PRKCA
SCHEMBL8901201 1.00 ALDH1A1 (0.41) ALDH1A1FAAHGALR3GLS2PRKCA
SCHEMBL10904195 0.94 ALDH1A1 (0.42) ALDH1A1PRKCACA1
SCHEMBL8900564 0.84 ZDHHC7 (0.43) FAAHGPR84FFAR1CA1ZDHHC7
SCHEMBL6382812 0.83 FAAH (0.40) FAAHGALR3GLS2PRKCAGPR84
SCHEMBL9544948 0.82 MEN1 (0.43) FAAHGALR3GPR84FFAR1MAPT
SCHEMBL15689848 0.81 FAAH (0.39) ALDH1A1FAAHGALR3GLS2PRKCA
SCHEMBL111270 0.81 FAAH (0.39) ALDH1A1FAAHGALR3GLS2PRKCA
SCHEMBL9046745 0.81 ALDH1A1 (0.45) ALDH1A1GALR3
SCHEMBL11745000 0.81 FAAH (0.42) FAAHGLS2PRKCAGPR84FFAR1

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-4133818-A Process for producing lactones HOFFMANN-LA ROCHE INC. (US) 1979-01-09 US disclosed