SCHEMBL20860880

SCHEMBL20860880

Cc1nocc1C(=O)NC1CCCC(C)C2=C=C1C=CC=C2

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 5/20 0.58
TAS1R1 Q7RTX1 5/20 0.58
TAS1R2 Q8TE23 5/20 0.58
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34
AR P10275 1/20 0.33
CHRNA4 P43681 2/20 0.33
RECQL P46063 1/20 0.33
ACACB O00763 4/20 0.33
LMNA P02545 2/20 0.32
GLA P06280 1/20 0.32
MAPK1 P28482 1/20 0.32
TSHR P16473 1/20 0.31
CSNK1D P48730 1/20 0.31
CSNK1E P49674 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
SCHEMBL702097 0.74 TAS1R3 (1.00) TAS1R3TAS1R1TAS1R2ALDH1A1HSD17B10
SCHEMBL702741 0.70 TAS1R3 (1.00) TAS1R3TAS1R1TAS1R2ALDH1A1HSD17B10
SCHEMBL29412432 0.70 TAS1R3 (1.00) TAS1R3TAS1R1TAS1R2ALDH1A1HSD17B10
SCHEMBL702742 0.70 TAS1R3 (1.00) TAS1R3TAS1R1TAS1R2ALDH1A1HSD17B10
SCHEMBL5317303 0.69 TAS1R3 (0.79) TAS1R3TAS1R1TAS1R2ALDH1A1HSD17B10
SCHEMBL5317302 0.69 TAS1R3 (0.79) TAS1R3TAS1R1TAS1R2ALDH1A1HSD17B10
SCHEMBL20860977 0.67 TAS1R3 (0.64) TAS1R3TAS1R1TAS1R2ALDH1A1HSD17B10
SCHEMBL702397 0.67 TAS1R3 (0.64) TAS1R3TAS1R1TAS1R2ALDH1A1HSD17B10
SCHEMBL5277236 0.67 TAS1R3 (0.64) TAS1R3TAS1R1TAS1R2ALDH1A1HSD17B10
SCHEMBL701644 0.65 TAS1R3 (1.00) TAS1R3TAS1R1TAS1R2

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
EP-1659881-B1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF SENOMYX INC (US) 2019-04-03 EP disclosed