SCHEMBL1122913

SCHEMBL1122913

O=C(NC(Cc1ccccc1-c1ccccc1)C(=O)O)c1ccc(OCCN(Cc2ccccc2)Cc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.56
ITGB3 P05106 3/20 0.49
ITGA2B P08514 2/20 0.49
GPR132 Q9UNW8 2/20 0.48
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.44
MME P08473 1/20 0.44
ACE P12821 1/20 0.44
CPA1 P15085 1/20 0.44
ACE2 Q9BYF1 1/20 0.44
PPARG P37231 1/20 0.43
ITGB1 P05556 3/20 0.43
ITGAV P06756 1/20 0.43
ITGA5 P08648 1/20 0.43
ITGA4 P13612 2/20 0.43
ITGB7 P26010 1/20 0.43
PTPN2 P17706 1/20 0.43
CDC25B P30305 1/20 0.43
MCHR1 Q99705 1/20 0.42
CA2 P00918 2/20 0.42

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
SCHEMBL1123378 0.90 GPR132 (0.57) PTPN1ITGB3ITGA2BGPR132PTPN2
SCHEMBL1123050 0.87 PTPN1 (0.69) PTPN1ITGB3ITGA2BGPR132GAA
SCHEMBL1122721 0.84 PTPN1 (0.68) PTPN1ITGB3ITGA2BGPR132GAA
SCHEMBL1123437 0.83 PTPN1 (0.67) PTPN1ITGB3ITGA2BGPR132GAA
SCHEMBL1122929 0.82 PPARG (0.59) PTPN1PPARGCA1CA12CA9
SCHEMBL1123517 0.82 PTPN1 (0.64) PTPN1ITGB3ITGA2BGPR132GAA
SCHEMBL1123282 0.82 PTPN1 (0.58) PTPN1ITGB3ITGA2BGPR132GAA
SCHEMBL1122735 0.81 ADAM17 (0.51) PTPN1ITGB3ITGA2BGPR132GAA
SCHEMBL1123375 0.78 PPARG (0.65) PTPN1GPR132PPARGCA1CA12
SCHEMBL1123056 0.78 PPARG (0.54) PTPN1PPARGCA1CA12CA9

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