SCHEMBL1123498

SCHEMBL1123498

COC(=O)[C@@H](NC(=O)c1cccc(OCc2ccc(OCc3ccccc3)cc2)c1)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR132 Q9UNW8 5/20 0.63
SMPD1 P17405 3/20 0.59
MAOB P27338 1/20 0.55
S1PR3 Q99500 1/20 0.54
NR4A2 P43354 1/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
NR1H4 Q96RI1 1/20 0.53
ALDH1A1 P00352 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
SCHEMBL1123388 0.94 GPR132 (0.64) GPR132SMPD1MAOBS1PR3NR4A2
SCHEMBL27658958 0.94 GPR132 (0.64) GPR132SMPD1MAOBS1PR3NR4A2
SCHEMBL1123022 0.91 GPR132 (0.75) GPR132SMPD1MAOBNR4A2NR1H4
SCHEMBL1122743 0.86 GPR132 (0.76) GPR132SMPD1ALDH1A1
SCHEMBL1122705 0.86 GPR132 (0.76) GPR132SMPD1ALDH1A1
SCHEMBL1123133 0.85 GPR132 (0.77) GPR132SMPD1MAOBNR4A2MEN1
SCHEMBL1123028 0.83 GPR132 (0.71) GPR132SMPD1ALDH1A1
SCHEMBL13702183 0.82 GPR132 (0.73) GPR132SMPD1MAOBNR4A2MEN1
SCHEMBL4893620 0.82 GPR132 (0.69) GPR132SMPD1MAOBNR4A2MEN1
SCHEMBL1122747 0.81 GPR132 (0.67) GPR132SMPD1ALDH1A1

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 4 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
EP-1644321-A2 NEW BENZAMIDES AS PPATY MODULATORS LABORATORIOS S.A.L.V.A.T., S.A. (ES) 2006-04-12 EP disclosed
WO-2004110983-A2 NEW BENZAMIDES AS PPARϒ MODULATORS LABORATORIOS S.A.L.V.A.T., S.A. (ES) 2004-12-23 WO disclosed