SCHEMBL3743153

SCHEMBL3743153

Nc1ccc(-c2ccc(Nc3cccc(CCC(=O)O)c3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 11/20 0.59
SIRT1 Q96EB6 1/20 0.56
RHOA P61586 1/20 0.50
FFAR4 Q5NUL3 4/20 0.49
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
ALOX12 P18054 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SYK P43405 2/20 0.44
DGAT1 O75907 1/20 0.44
KEAP1 Q14145 1/20 0.44
PTPRB P23467 1/20 0.43
CDC25A P30304 1/20 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
SCHEMBL26088637 0.78 MAPT (0.50) ALDH1A1CYP1A2CYP3A4MAPTCYP2C9
SCHEMBL5813249 0.77 SIRT1 (0.60) FFAR1SIRT1RHOAITGB3ITGA2B
SCHEMBL8339608 0.76 FFAR1 (0.71) FFAR1FFAR4KEAP1
SCHEMBL4600571 0.75 CYP19A1 (0.68) FFAR1FFAR4KEAP1PTPRBCDC25A
SCHEMBL360723 0.74 THRA (0.62) FFAR1SIRT1ITGB3ITGA2BKEAP1
SCHEMBL9425104 0.74 FFAR1 (0.69) FFAR1FFAR4MAPTHTTKEAP1
SCHEMBL16299420 0.73 FFAR1 (0.58) FFAR1SIRT1RHOAFFAR4ITGB3
SCHEMBL12017476 0.73 FFAR1 (0.58) FFAR1SIRT1RHOAFFAR4ITGB3
SCHEMBL4628541 0.73 MAPT (0.63) ALDH1A1MAPTHTT
Biphenyl-4-Amine SCHEMBL22289315 0.73 ALDH1A1 (0.67) SIRT1ALDH1A1CYP1A2CYP3A4MAPT

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
US-7833684-B2 Triaryl amines such as N,N'-diphenyl-N,N'-bis(3-hydroxyphenyl) [1,1'-biphenyl]-4, 4'-diamineas charge control agents imparting excellent triboelectric charging characteristics to a toner particle comprising a latex, a pigment, and an optional wax; emulsion aggregation toners; xerography; resolution XEROX CORPORATION (US) 2010-11-16 US claimed
US-20090123860-A1 Triaryl amines such as N,N'-diphenyl-N,N'-bis(3-hydroxyphenyl) [1,1'-biphenyl]-4, 4'-diamineas charge control agents imparting excellent triboelectric charging characteristics to a toner particle comprising a latex, a pigment, and an optional wax; emulsion aggregation toners; xerography; resolution XEROX CORPORATION 2009-05-14 US claimed