SCHEMBL1123050

SCHEMBL1123050

O=C(NC(Cc1ccc(-c2ccccc2)cc1)C(=O)O)c1ccc(OCCN(Cc2ccccc2)Cc2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.69
ITGB3 P05106 3/20 0.60
ITGA2B P08514 2/20 0.60
GPR132 Q9UNW8 2/20 0.55
GAA P10253 1/20 0.52
RAB9A P51151 1/20 0.52
ITGB1 P05556 1/20 0.52
ITGAV P06756 1/20 0.52
ITGA5 P08648 1/20 0.52
KLKB1 P03952 1/20 0.50
GPR34 Q9UPC5 3/20 0.49
MCHR1 Q99705 1/20 0.49
CA2 P00918 2/20 0.49
CA1 P00915 2/20 0.49
CA12 O43570 1/20 0.48
CA9 Q16790 1/20 0.48
HRH3 Q9Y5N1 1/20 0.47
CTSB P07858 1/20 0.47
CTSS P25774 1/20 0.47
CTSK P43235 1/20 0.47

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
SCHEMBL1122721 0.93 PTPN1 (0.68) PTPN1ITGB3ITGA2BGPR132GAA
SCHEMBL1123437 0.92 PTPN1 (0.67) PTPN1ITGB3ITGA2BGPR132GAA
SCHEMBL1123517 0.90 PTPN1 (0.64) PTPN1ITGB3ITGA2BGPR132GAA
SCHEMBL1122913 0.87 PTPN1 (0.56) PTPN1ITGB3ITGA2BGPR132GAA
SCHEMBL1123282 0.86 PTPN1 (0.58) PTPN1ITGB3ITGA2BGPR132GAA
SCHEMBL6031191 0.85 ITGB3 (0.64) PTPN1ITGB3ITGA2BGPR132GAA
SCHEMBL7300651 0.84 ITGB3 (0.66) PTPN1ITGB3ITGA2BGPR132GAA
SCHEMBL5927205 0.83 GPR132 (0.72) PTPN1ITGB3ITGA2BGPR132GAA
SCHEMBL1123243 0.83 GPR132 (0.72) PTPN1ITGB3ITGA2BGPR132GAA
SCHEMBL1122833 0.83 GPR132 (0.72) PTPN1ITGB3ITGA2BGPR132GAA

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