SCHEMBL9506198

SCHEMBL9506198

CC(C)(C)COCc1cccc([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.53
MAOB P27338 3/20 0.51
MAOA P21397 1/20 0.51
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
LMNA P02545 2/20 0.47
RAB9A P51151 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAPT P10636 3/20 0.46
ALDH1A1 P00352 2/20 0.46
CA12 O43570 1/20 0.45
ACHE P22303 1/20 0.45
ALOX15 P16050 1/20 0.45
PYCR1 P32322 1/20 0.45
HTR1A P08908 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44

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
SCHEMBL1767329 0.85 TSHR (0.65) TSHRMAOBMAOAMEN1KMT2A
SCHEMBL3721964 0.83 TSHR (0.57) TSHRMAOBMAOAMEN1KMT2A
SCHEMBL9504279 0.82 TSHR (0.50) TSHRMAOBMAOAMEN1KMT2A
SCHEMBL7861196 0.81 TSHR (0.59) TSHRMAOBMAOAMEN1KMT2A
SCHEMBL25456599 0.81 IDO1 (0.56) TSHRMAOBMAOALMNARAB9A
SCHEMBL791926 0.80 TSHR (0.62) TSHRMAOBMAOAMEN1KMT2A
SCHEMBL9504303 0.80 TSHR (0.48) TSHRMAOBMAOAMEN1KMT2A
SCHEMBL30041959 0.80 TSHR (0.54) TSHRMAOBMAOAMEN1KMT2A
SCHEMBL8260909 0.80 TSHR (0.54) TSHRMAOBMAOAMEN1KMT2A
SCHEMBL11503161 0.80 TSHR (0.67) TSHRMAOBMAOAMEN1KMT2A

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