SCHEMBL7010616

SCHEMBL7010616

FC(F)(F)COc1ccc(OCCBr)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
MAPT P10636 3/20 0.44
GPR3 P46089 1/20 0.40
SCN5A Q14524 1/20 0.40
CYP2C9 P11712 2/20 0.39
CYP17A1 P05093 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
PAX8 Q06710 1/20 0.38
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
LTA4H P09960 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL498377 0.84 ALDH1A1 (0.56) ALDH1A1MAPTGPR3SCN5ACYP2C9
SCHEMBL4332998 0.83 LTA4H (0.50) ALDH1A1LTA4HNOS1
SCHEMBL8140756 0.82 NPC1 (0.47) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL9060551 0.80 MAOB (0.42) ALDH1A1MAPTGPR3SCN5ACYP2C9
SCHEMBL122100 0.79 ALDH1A1 (0.44) ALDH1A1MAPTGPR3SCN5ACYP2C9
SCHEMBL7007736 0.79 TAAR1 (0.54) ALDH1A1MAPTGPR3SCN5ASMN1; SMN2
SCHEMBL5247851 0.79 MAOB (0.45) MAPTSCN5ACYP2C9L3MBTL1
SCHEMBL2037249 0.78 ALDH1A1 (0.47) ALDH1A1MAPTGPR3SCN5ACYP2C9
SCHEMBL18380932 0.78 SCN5A (0.56) ALDH1A1MAPTGPR3SCN5ACYP2C9
SCHEMBL31186659 0.76 L3MBTL1 (0.41) ALDH1A1MAPTGPR3CYP2C19SMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0866056-B1 N- (FLUOROALKOXY)PHENOXYALKYL]BENZAMIDE COMPOUNDS, INTERMEDIATES THEREOF, PROCESS FOR PRODUCING THE SAME, AND AGRICULTURAL AND HORTICULTURAL PESTICIDES UBE INDUSTRIES (JP) 2003-01-08 EP disclosed
US-5977410-A N-[(fluoroalkoxy) phenoxyalkyl]benzamide compounds, intermediates thereof, process for producing the same, and agricultural and horticultural pesticides UBE INDUSTRIES, LTD. (JP) 1999-11-02 US disclosed
EP-0866056-A1 N- (FLUOROALKOXY)PHENOXYALKYL]BENZAMIDE COMPOUNDS, INTERMEDIATES THEREOF, PROCESS FOR PRODUCING THE SAME, AND AGRICULTURAL AND HORTICULTURAL PESTICIDES UBE INDUSTRIES, LTD. (JP) 1998-09-23 EP disclosed