SCHEMBL9504279

SCHEMBL9504279

O=[N+]([O-])c1cccc(COCC(F)(F)C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
MAOB P27338 2/20 0.46
MAOA P21397 1/20 0.46
RAB9A P51151 1/20 0.45
LMNA P02545 1/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
RXFP1 Q9HBX9 1/20 0.43
F2 P00734 1/20 0.43
ALDH1A1 P00352 4/20 0.42
ALOX15 P16050 1/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CA12 O43570 1/20 0.41

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
SCHEMBL9504303 0.92 TSHR (0.48) TSHRMAOBMAOARAB9ALMNA
SCHEMBL9504324 0.84 TSHR (0.43) TSHRMAOBMAOARAB9ALMNA
SCHEMBL1767329 0.83 TSHR (0.65) TSHRMAOBMAOARAB9ALMNA
SCHEMBL9506198 0.82 TSHR (0.53) TSHRMAOBMAOARAB9ALMNA
SCHEMBL9505495 0.81 TSHR (0.49) TSHRMAOBMAOARAB9ALMNA
SCHEMBL8104417 0.79 MAOB (0.54) TSHRMAOBMAOARAB9AKMT2A
SCHEMBL7861196 0.79 TSHR (0.59) TSHRMAOBMAOARAB9ALMNA
SCHEMBL10456732 0.78 TSHR (0.54) TSHRMAOBMAOARAB9ALMNA
SCHEMBL11503161 0.77 TSHR (0.67) TSHRMAOBMAOARAB9ALMNA
SCHEMBL28381738 0.77 TSHR (0.57) TSHRMAOBMAOARAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0279096-B1 BENZYL ETHER COMPOUND AND PROCESS FOR PRODUCING THE SAME KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1993-07-07 EP claimed
US-5001275-A Benzyl ether compound and process for producing the same KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1991-03-19 US claimed
EP-0279096-A2 Benzyl ether compound and process for producing the same KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1988-08-24 EP claimed
EP-0279096-B1 BENZYL ETHER COMPOUND AND PROCESS FOR PRODUCING THE SAME KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1993-07-07 EP disclosed
US-5001275-A Benzyl ether compound and process for producing the same KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1991-03-19 US disclosed
EP-0279096-A2 Benzyl ether compound and process for producing the same KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1988-08-24 EP disclosed