SCHEMBL9989457

SCHEMBL9989457

COc1ccc2oc(C(=O)NC(CSCc3ccccc3)C(=O)O)cc2c1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 11/20 0.59
TAS1R1 Q7RTX1 11/20 0.59
ACE P12821 2/20 0.53
BCAT1 P54687 1/20 0.52
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
SLC10A1 Q14973 1/20 0.47

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
SCHEMBL9989447 1.00 TAS1R3 (0.59) TAS1R3TAS1R1ACEBCAT1PPARG
SCHEMBL12072230 0.86 TAS1R3 (0.65) TAS1R3TAS1R1BCAT1
SCHEMBL12071238 0.86 TAS1R3 (0.65) TAS1R3TAS1R1BCAT1
SCHEMBL9989825 0.83 TAS1R3 (0.60) TAS1R3TAS1R1BCAT1
SCHEMBL9989480 0.83 TAS1R3 (0.61) TAS1R3TAS1R1BCAT1
SCHEMBL9989838 0.83 TAS1R3 (0.60) TAS1R3TAS1R1BCAT1
SCHEMBL9989487 0.83 TAS1R3 (0.61) TAS1R3TAS1R1BCAT1
SCHEMBL12071090 0.82 TAS1R3 (0.62) TAS1R3TAS1R1BCAT1
SCHEMBL12072866 0.82 TAS1R3 (0.62) TAS1R3TAS1R1BCAT1
SCHEMBL12072869 0.82 TAS1R3 (0.59) TAS1R3TAS1R1ACEBCAT1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011159781-A2 BITTER TASTE MODULATORS SENOMYX, INC. (US) 2011-12-22 WO disclosed
WO-2011159781-A2 BITTER TASTE MODULATORS SENOMYX, INC. (US) 2011-12-22 WO disclosed