SCHEMBL5923909

SCHEMBL5923909

Cc1cccc2c1CCC[C@H]2NC(=O)c1cccc(Cl)c1O

nearest known ligand 0.81

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 17/20 0.81
TAS1R1 Q7RTX1 17/20 0.81
TAS1R2 Q8TE23 15/20 0.81
ALDH1A1 P00352 1/20 0.57
HSD17B2 P37059 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL5923912 1.00 TAS1R3 (0.81) TAS1R3TAS1R1TAS1R2ALDH1A1HSD17B2
SCHEMBL701253 0.89 TAS1R3 (1.00) TAS1R3TAS1R1TAS1R2ALDH1A1HSD17B2
SCHEMBL701932 0.87 TAS1R3 (0.80) TAS1R3TAS1R1TAS1R2ALDH1A1MEN1
SCHEMBL3730549 0.87 TAS1R3 (0.80) TAS1R3TAS1R1TAS1R2ALDH1A1MEN1
SCHEMBL5276430 0.85 TAS1R3 (0.72) TAS1R3TAS1R1TAS1R2ALDH1A1MEN1
SCHEMBL701854 0.83 TAS1R3 (1.00) TAS1R3TAS1R1TAS1R2ALDH1A1MEN1
SCHEMBL701855 0.83 TAS1R3 (1.00) TAS1R3TAS1R1TAS1R2ALDH1A1MEN1
SCHEMBL5319909 0.81 TAS1R3 (0.74) TAS1R3TAS1R1TAS1R2ALDH1A1MEN1
SCHEMBL20860976 0.80 TAS1R3 (0.93) TAS1R3TAS1R1TAS1R2ALDH1A1MEN1
SCHEMBL5923958 0.80 TAS1R3 (0.84) TAS1R3TAS1R1TAS1R2MEN1KMT2A

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-20060045953-A1 Aromatic amides and ureas and their uses as sweet and/or umami flavor modifiers, tastants and taste enhancers SENOMYX, INC. 2006-03-02 US disclosed