SCHEMBL1123682

SCHEMBL1123682

O=C(NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)O)c1ccc(OCCOc2ccc3ccccc3n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR132 Q9UNW8 6/20 0.60
PTPN1 P18031 4/20 0.55
ITGB3 P05106 2/20 0.54
ITGA2B P08514 1/20 0.54
ITGB1 P05556 2/20 0.52
ITGA4 P13612 1/20 0.52
ITGAV P06756 1/20 0.51
ITGA5 P08648 1/20 0.51
PPARG P37231 3/20 0.50
PTPN2 P17706 1/20 0.49
CDC25B P30305 1/20 0.49
GPR34 Q9UPC5 1/20 0.49
CMKLR2 P46091 1/20 0.48
CMKLR1 Q99788 1/20 0.48
MME P08473 1/20 0.48
ACE P12821 1/20 0.48
CPA1 P15085 1/20 0.48
ACE2 Q9BYF1 1/20 0.48

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
SCHEMBL1123678 1.00 GPR132 (0.60) GPR132PTPN1ITGB3ITGA2BITGB1
SCHEMBL1122748 0.92 GAA (0.59) GPR132PTPN1ITGB3ITGA2BITGB1
SCHEMBL1123610 0.86 GPR132 (0.64) GPR132PTPN1ITGB3ITGA2BPPARG
SCHEMBL1123333 0.85 GPR132 (0.67) GPR132PTPN1ITGB3ITGA2BITGB1
SCHEMBL1123112 0.85 PTPN1 (0.64) GPR132PTPN1ITGB3ITGA2BITGB1
SCHEMBL1123264 0.84 GPR132 (0.68) GPR132PTPN1ITGB3ITGA2BITGB1
SCHEMBL1123299 0.84 GPR132 (0.77) GPR132PTPN1ITGB3ITGA2BPPARG
SCHEMBL1123033 0.84 GPR132 (0.77) GPR132PTPN1ITGB3ITGA2BPPARG
SCHEMBL1123232 0.84 GPR132 (0.77) GPR132PTPN1ITGB3ITGA2BPPARG
SCHEMBL27658914 0.84 GPR132 (0.77) GPR132PTPN1ITGB3ITGA2BPPARG

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