SCHEMBL9989452

SCHEMBL9989452

COC(=O)CC(COCc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.61
CTSS P25774 3/20 0.57
PPARG P37231 2/20 0.56
ATM Q13315 1/20 0.52
SYK P43405 1/20 0.52
REN P00797 5/20 0.51
KLK5 Q9Y337 5/20 0.48
KLK7 P49862 3/20 0.48
RAB9A P51151 1/20 0.45
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
CTSK P43235 1/20 0.45
APP P05067 1/20 0.43

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
SCHEMBL9990178 1.00 PPARA (0.61) PPARACTSSPPARGATMSYK
SCHEMBL9989456 1.00 PPARA (0.61) PPARACTSSPPARGATMSYK
SCHEMBL740896 0.90 PPARA (0.63) PPARACTSSPPARGATMSYK
SCHEMBL14265324 0.90 PPARA (0.63) PPARACTSSPPARGATMSYK
SCHEMBL740897 0.90 PPARA (0.63) PPARACTSSPPARGATMSYK
SCHEMBL18407225 0.90 PPARA (0.69) PPARACTSSPPARGATMSYK
SCHEMBL8336513 0.90 PPARA (0.57) PPARACTSSPPARGATMSYK
SCHEMBL3386721 0.88 PPARA (0.53) PPARACTSSPPARGATMSYK
SCHEMBL3386725 0.88 PPARA (0.53) PPARACTSSPPARGATMSYK
SCHEMBL17207697 0.86 SYK (0.59) PPARACTSSPPARGATMSYK

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