SCHEMBL1123437

SCHEMBL1123437

O=C(NC(Cc1ccc(Br)cc1)C(=O)O)c1ccc(OCCN(Cc2ccccc2)Cc2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.67
ITGB3 P05106 5/20 0.58
ITGA2B P08514 4/20 0.58
GPR132 Q9UNW8 2/20 0.53
PPARG P37231 1/20 0.52
ITGB1 P05556 2/20 0.50
ITGAV P06756 1/20 0.50
ITGA5 P08648 1/20 0.50
GAA P10253 1/20 0.50
RAB9A P51151 1/20 0.50
CA2 P00918 2/20 0.47
CA1 P00915 2/20 0.47
CA12 O43570 1/20 0.47
CA9 Q16790 1/20 0.47
FPR2 P25090 2/20 0.47
BAX Q07812 2/20 0.46
ITGA4 P13612 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
SCHEMBL1123050 0.92 PTPN1 (0.69) PTPN1ITGB3ITGA2BGPR132ITGB1
SCHEMBL1122721 0.91 PTPN1 (0.68) PTPN1ITGB3ITGA2BGPR132PPARG
SCHEMBL1123192 0.89 GPR132 (0.63) PTPN1ITGB3ITGA2BGPR132PPARG
SCHEMBL1123517 0.88 PTPN1 (0.64) PTPN1ITGB3ITGA2BGPR132PPARG
SCHEMBL1123282 0.84 PTPN1 (0.58) PTPN1ITGB3ITGA2BGPR132ITGB1
SCHEMBL1122708 0.84 GPR132 (0.69) PTPN1ITGB3ITGA2BGPR132PPARG
SCHEMBL1122913 0.83 PTPN1 (0.56) PTPN1ITGB3ITGA2BGPR132PPARG
SCHEMBL1123056 0.83 PPARG (0.54) PTPN1PPARGCA1CA12CA9
SCHEMBL7300651 0.82 ITGB3 (0.66) PTPN1ITGB3ITGA2BGPR132PPARG
SCHEMBL1123228 0.82 GPR132 (0.60) PTPN1ITGB3ITGA2BGPR132PPARG

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 2 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
CN-1835914-A New benzamides as PPAR[upsilon] modulators S A L V A T LAB SA (ES) 2006-09-20 CN disclosed