SCHEMBL1123555

SCHEMBL1123555

COC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1cccc(O)c1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.65
GPR132 Q9UNW8 5/20 0.64
GAA P10253 1/20 0.64
RAB9A P51151 1/20 0.64
LNPEP Q9UIQ6 2/20 0.64
ERAP2 Q6P179 1/20 0.64
YAP1 P46937 3/20 0.58
ALDH1A1 P00352 3/20 0.58
PTPN1 P18031 1/20 0.57
HPGDS O60760 1/20 0.55
LTA4H P09960 1/20 0.54
CMKLR2 P46091 1/20 0.53
CMKLR1 Q99788 1/20 0.53
LMNA P02545 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
GLA P06280 1/20 0.52

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
SCHEMBL1122743 0.93 GPR132 (0.76) PPARGGPR132GAARAB9ALNPEP
SCHEMBL1122705 0.93 GPR132 (0.76) PPARGGPR132GAARAB9ALNPEP
SCHEMBL1123028 0.90 GPR132 (0.71) PPARGGPR132GAARAB9ALNPEP
SCHEMBL1123055 0.89 GAA (0.80) PPARGGPR132GAARAB9ALNPEP
SCHEMBL1122925 0.88 GAA (0.75) PPARGGPR132GAARAB9ALNPEP
SCHEMBL1123382 0.87 GAA (0.71) PPARGGPR132GAARAB9ALNPEP
SCHEMBL1122747 0.87 GPR132 (0.67) PPARGGPR132GAARAB9ALNPEP
SCHEMBL1123158 0.87 GPR132 (0.77) PPARGGPR132GAARAB9ALNPEP
SCHEMBL1122813 0.86 GPR132 (0.66) PPARGGPR132GAARAB9ALNPEP
SCHEMBL1122745 0.86 GPR132 (0.66) PPARGGPR132GAARAB9ALNPEP

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-1644321-B1 NEW BENZAMIDES AS PPATY MODULATORS S A L V A T LAB SA (ES) 2011-02-09 EP disclosed