SCHEMBL7007736

SCHEMBL7007736

NCCOc1ccc(OCC(F)(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.54
LTA4H P09960 2/20 0.52
PLA2G2A P14555 1/20 0.52
ALDH1A1 P00352 3/20 0.48
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
THRB P10828 1/20 0.44
G6PD P11413 1/20 0.44
ALOX15 P16050 1/20 0.44
CASP1 P29466 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ESR1 P03372 2/20 0.42
CYP19A1 P11511 2/20 0.42

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
SCHEMBL22809479 0.89 CYP2C9 (0.53) TAAR1LTA4HPLA2G2AALDH1A1MAPT
Hydrochloric Acid SCHEMBL28351143 0.87 CYP2C9 (0.51) TAAR1LTA4HPLA2G2AALDH1A1MAPT
Hydrochloric Acid SCHEMBL30450085 0.87 CYP2C9 (0.51) TAAR1LTA4HPLA2G2AALDH1A1MAPT
SCHEMBL498377 0.84 ALDH1A1 (0.56) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL1290562 0.83 MAOB (0.57) TAAR1LTA4HPLA2G2AALDH1A1SMN1; SMN2
SCHEMBL6714503 0.82 TAAR1 (0.75) TAAR1LTA4HPLA2G2AALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL30020614 0.82 MAOB (0.60) TAAR1LTA4HPLA2G2AALDH1A1SMN1; SMN2
SCHEMBL3889562 0.80 MAOB (0.63) TAAR1MAOB
SCHEMBL3890418 0.79 MAOB (0.61) ALDH1A1MAPTMAOB
SCHEMBL1290720 0.79 TAAR1 (0.54) TAAR1LTA4HPLA2G2AALDH1A1SMN1; 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 5 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 claimed
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 claimed
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