SCHEMBL1122857

SCHEMBL1122857

O=C(N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O)c1ccc(OCCCc2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR132 Q9UNW8 3/20 0.67
ITGB3 P05106 7/20 0.66
ITGA2B P08514 6/20 0.66
PTPN1 P18031 3/20 0.59
PPARG P37231 3/20 0.58
GPR34 Q9UPC5 1/20 0.57
ITGB1 P05556 1/20 0.56
ITGAV P06756 1/20 0.56
ITGA5 P08648 1/20 0.56
MME P08473 1/20 0.55
ACE P12821 1/20 0.55
CPA1 P15085 1/20 0.55
ACE2 Q9BYF1 1/20 0.55
GAA P10253 1/20 0.55
RAB9A P51151 1/20 0.55

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
SCHEMBL27659028 1.00 GPR132 (0.67) GPR132ITGB3ITGA2BPTPN1PPARG
SCHEMBL1123264 0.94 GPR132 (0.68) GPR132ITGB3ITGA2BPTPN1PPARG
SCHEMBL1123033 0.92 GPR132 (0.77) GPR132ITGB3ITGA2BPTPN1PPARG
SCHEMBL1123232 0.92 GPR132 (0.77) GPR132ITGB3ITGA2BPTPN1PPARG
SCHEMBL1123299 0.92 GPR132 (0.77) GPR132ITGB3ITGA2BPTPN1PPARG
SCHEMBL27658914 0.92 GPR132 (0.77) GPR132ITGB3ITGA2BPTPN1PPARG
SCHEMBL1123606 0.91 GPR132 (0.64) GPR132ITGB3ITGA2BPTPN1PPARG
SCHEMBL1123256 0.91 GPR132 (0.64) GPR132ITGB3ITGA2BPTPN1PPARG
SCHEMBL1123211 0.91 GPR132 (0.64) GPR132ITGB3ITGA2BPTPN1PPARG
SCHEMBL1123184 0.91 GPR132 (0.67) GPR132ITGB3ITGA2BPTPN1PPARG

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 3 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
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