SCHEMBL11273701

SCHEMBL11273701

CC(C#CC1=C(C)C(=O)CCC1(C)C)=CCO

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
TRPA1 O75762 1/20 0.31
FFAR1 O14842 1/20 0.31

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
SCHEMBL11273699 1.00 MAPT (0.36) MAPTALOX15TRPA1FFAR1
SCHEMBL11517151 0.88 MAPT (0.36) MAPTALOX15TRPA1
SCHEMBL11432417 0.86 FFAR1 (0.32) FFAR1
Bromide SCHEMBL11517153 0.84 MAPT (0.39) MAPTALOX15TRPA1
Bromide SCHEMBL11437682 0.78 MAPT (0.32) MAPTALOX15
SCHEMBL10748261 0.77 ALDH1A1 (0.43) MAPTALOX15FFAR1
SCHEMBL10748262 0.77 ALDH1A1 (0.43) MAPTALOX15FFAR1
SCHEMBL3136770 0.76 MAPT (0.39) MAPTFFAR1
SCHEMBL3136775 0.76 MAPT (0.39) MAPTFFAR1
SCHEMBL3131652 0.75

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-4323711-A Process for producing cyclohexenes HOFFMANN-LA ROCHE INC. (US) 1982-04-06 US disclosed