SCHEMBL9505495

SCHEMBL9505495

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

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.49
ALDH1A1 P00352 4/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MAOB P27338 3/20 0.43
MAOA P21397 1/20 0.43
RAB9A P51151 1/20 0.42
KMT2A Q03164 2/20 0.41
LMNA P02545 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
F2 P00734 1/20 0.40
MEN1 O00255 1/20 0.40
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL9504279 0.81 TSHR (0.50) TSHRALDH1A1MAOBMAOARAB9A
SCHEMBL9504324 0.80 TSHR (0.43) TSHRALDH1A1NPSR1MAOBMAOA
SCHEMBL9504303 0.79 TSHR (0.48) TSHRALDH1A1MAOBMAOARAB9A
SCHEMBL1767329 0.79 TSHR (0.65) TSHRALDH1A1MAOBMAOARAB9A
SCHEMBL9683053 0.79 HSD17B10 (0.42) ALDH1A1KMT2ALMNAMEN1KDM4E
SCHEMBL9506198 0.78 TSHR (0.53) TSHRALDH1A1MAOBMAOARAB9A
SCHEMBL9505456 0.77 ALDH1A1 (0.49) TSHRALDH1A1NPSR1MAOBMAOA
SCHEMBL11503161 0.76 TSHR (0.67) TSHRALDH1A1MAOBMAOARAB9A
SCHEMBL3705262 0.75 TSHR (0.56) TSHRALDH1A1MAOBMAOARAB9A
SCHEMBL7861196 0.74 TSHR (0.59) TSHRALDH1A1MAOBMAOARAB9A

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