SCHEMBL1123382

SCHEMBL1123382

COC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1ccc(OCc2cccc(OCc3ccccc3)c2)cc1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.71
RAB9A P51151 1/20 0.71
GPR132 Q9UNW8 6/20 0.64
PPARG P37231 1/20 0.62
ERAP2 Q6P179 1/20 0.61
LNPEP Q9UIQ6 1/20 0.61
PTPN1 P18031 2/20 0.59
YAP1 P46937 2/20 0.56
ALDH1A1 P00352 2/20 0.55
MEN1 O00255 1/20 0.55
LMNA P02545 1/20 0.55
KMT2A Q03164 1/20 0.55
FFAR1 O14842 1/20 0.55
GPR34 Q9UPC5 2/20 0.54
LTA4H P09960 1/20 0.54
CMKLR2 P46091 1/20 0.53
CMKLR1 Q99788 1/20 0.53

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
SCHEMBL1122839 0.96 GAA (0.68) GAARAB9AGPR132PPARGERAP2
SCHEMBL1123202 0.95 GAA (0.64) GAARAB9AGPR132PPARGERAP2
SCHEMBL1123314 0.95 GAA (0.64) GAARAB9AGPR132PPARGERAP2
SCHEMBL1123642 0.95 GAA (0.67) GAARAB9AGPR132PPARGERAP2
SCHEMBL1123055 0.93 GAA (0.80) GAARAB9AGPR132PPARGERAP2
SCHEMBL1122705 0.93 GPR132 (0.76) GAARAB9AGPR132PPARGERAP2
SCHEMBL1122743 0.93 GPR132 (0.76) GAARAB9AGPR132PPARGERAP2
SCHEMBL27658923 0.92 GAA (0.68) GAARAB9AGPR132PPARGERAP2
SCHEMBL1122576 0.92 GAA (0.68) GAARAB9AGPR132PPARGERAP2
SCHEMBL1123158 0.91 GPR132 (0.77) GAARAB9AGPR132PPARGERAP2

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
EP-1644321-B1 NEW BENZAMIDES AS PPATY MODULATORS S A L V A T LAB SA (ES) 2011-02-09 EP disclosed
CN-1835914-A New benzamides as PPAR[upsilon] modulators S A L V A T LAB SA (ES) 2006-09-20 CN disclosed