SCHEMBL1123397

SCHEMBL1123397

O=C(NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)O)c1ccc(OCC(=O)N(Cc2cccs2)c2ccccc2F)cc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR34 Q9UPC5 6/20 0.50
GPR132 Q9UNW8 3/20 0.49
PTPN1 P18031 5/20 0.46
PTPN2 P17706 1/20 0.46
CDC25B P30305 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.45
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
PPARG P37231 3/20 0.43

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
SCHEMBL1123310 0.79 PTPN1 (0.61) GPR34GPR132PTPN1ITGB3ITGA2B
SCHEMBL1123267 0.78 GPR132 (0.62) GPR34GPR132PTPN1ITGB3ITGA2B
SCHEMBL1123396 0.77 GPR34 (0.58) GPR34GPR132PTPN1PTPN2CDC25B
SCHEMBL1123232 0.77 GPR132 (0.77) GPR34GPR132PTPN1ITGB3ITGA2B
SCHEMBL27658914 0.77 GPR132 (0.77) GPR34GPR132PTPN1ITGB3ITGA2B
SCHEMBL1123033 0.77 GPR132 (0.77) GPR34GPR132PTPN1ITGB3ITGA2B
SCHEMBL1123299 0.77 GPR132 (0.77) GPR34GPR132PTPN1ITGB3ITGA2B
SCHEMBL1122788 0.76 GPR132 (0.62) GPR34GPR132PTPN1ITGB3ITGA2B
SCHEMBL1122851 0.76 PTPN1 (0.74) GPR34GPR132PTPN1PTPN2CDC25B
SCHEMBL1122757 0.75 GPR132 (0.78) GPR34GPR132PTPN1ITGB3ITGA2B

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