SCHEMBL1123431

SCHEMBL1123431

O=C(NC(Cc1cccc(Oc2ccccc2)c1)C(=O)O)c1cccc(OCCN(Cc2ccccc2)Cc2ccccc2)c1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR132 Q9UNW8 14/20 0.61
CMKLR2 P46091 1/20 0.54
CMKLR1 Q99788 1/20 0.54
PTPN1 P18031 2/20 0.53
MME P08473 1/20 0.49
ACE P12821 1/20 0.49
CPA1 P15085 1/20 0.49
ACE2 Q9BYF1 1/20 0.49
ITGB1 P05556 2/20 0.47
ITGA5 P08648 2/20 0.47
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46

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
SCHEMBL1123282 0.92 PTPN1 (0.58) GPR132CMKLR2CMKLR1PTPN1MME
SCHEMBL1123228 0.90 GPR132 (0.60) GPR132CMKLR2CMKLR1PTPN1ITGB3
SCHEMBL1123192 0.88 GPR132 (0.63) GPR132CMKLR2CMKLR1PTPN1ITGB3
SCHEMBL1123368 0.85 GPR132 (0.60) GPR132CMKLR2CMKLR1PTPN1ITGB1
SCHEMBL1123378 0.85 GPR132 (0.57) GPR132CMKLR2CMKLR1PTPN1ITGB3
SCHEMBL10816310 0.83 GPR132 (0.66) GPR132CMKLR2CMKLR1PTPN1MME
SCHEMBL1122807 0.79 GPR132 (0.82) GPR132CMKLR2CMKLR1PTPN1
SCHEMBL1123050 0.78 PTPN1 (0.69) GPR132PTPN1ITGB1ITGA5ITGB3
SCHEMBL1122981 0.78 ITGB2 (0.52) GPR132
SCHEMBL1122844 0.78 MEN1 (0.63) GPR132CMKLR2CMKLR1

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