SCHEMBL9989487

SCHEMBL9989487

COc1ccc2oc(C(=O)NC(CCCc3ccccc3)C(=O)O)cc2c1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 13/20 0.61
TAS1R1 Q7RTX1 13/20 0.61
C3AR1 Q16581 1/20 0.53
BCAT1 P54687 1/20 0.53
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
RAB9A P51151 1/20 0.47
PIN1 Q13526 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
SCHEMBL9989480 1.00 TAS1R3 (0.61) TAS1R3TAS1R1C3AR1BCAT1HDAC3
SCHEMBL12071238 0.87 TAS1R3 (0.65) TAS1R3TAS1R1BCAT1RAB9APIN1
SCHEMBL12072230 0.87 TAS1R3 (0.65) TAS1R3TAS1R1BCAT1RAB9APIN1
SCHEMBL9989825 0.84 TAS1R3 (0.60) TAS1R3TAS1R1BCAT1HDAC3HDAC4
SCHEMBL9989838 0.84 TAS1R3 (0.60) TAS1R3TAS1R1BCAT1HDAC3HDAC4
SCHEMBL12071090 0.83 TAS1R3 (0.62) TAS1R3TAS1R1BCAT1PIN1
SCHEMBL12072866 0.83 TAS1R3 (0.62) TAS1R3TAS1R1BCAT1PIN1
SCHEMBL12071085 0.83 TAS1R3 (0.59) TAS1R3TAS1R1BCAT1PIN1
SCHEMBL12072869 0.83 TAS1R3 (0.59) TAS1R3TAS1R1BCAT1PIN1
SCHEMBL9989447 0.83 TAS1R3 (0.59) TAS1R3TAS1R1BCAT1

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