SCHEMBL9506155

SCHEMBL9506155

CC(C)CCOCc1cccc([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
MAOB P27338 3/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
RECQL P46063 1/20 0.49
MAOA P21397 1/20 0.49
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HTR1A P08908 1/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
CYP1A2 P05177 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 2/20 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
SCHEMBL30041959 0.84 TSHR (0.54) TSHRMAOBCYP2D6CYP2C9CYP2C19
SCHEMBL8260909 0.84 TSHR (0.54) TSHRMAOBCYP2D6CYP2C9CYP2C19
SCHEMBL1767329 0.83 TSHR (0.65) TSHRMAOBCYP2D6CYP2C9CYP2C19
SCHEMBL924777 0.82 TSHR (0.53) TSHRMAOBCYP2D6CYP2C9CYP2C19
SCHEMBL7310325 0.81 F2 (0.47) TSHRMAOBCYP2D6CYP2C9CYP2C19
SCHEMBL10456732 0.81 TSHR (0.54) TSHRMAOBCYP2D6CYP2C9CYP2C19
SCHEMBL925746 0.81 TSHR (0.54) TSHRMAOBCYP2D6CYP2C9CYP2C19
SCHEMBL15562841 0.80 TSHR (0.57) TSHRCYP2D6CYP2C9CYP2C19RECQL
SCHEMBL29466702 0.80 TSHR (0.57) TSHRCYP2D6CYP2C9CYP2C19RECQL
SCHEMBL3721964 0.80 TSHR (0.57) TSHRMAOBCYP2D6CYP2C9CYP2C19

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 17 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
JP-63192739-A None JP disclosed
EP-0279096-B1 BENZYL ETHER COMPOUND AND PROCESS FOR PRODUCING THE SAME KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1993-07-07 EP disclosed
EP-0290682-B1 HERBICIDAL 4,5-DIHYDRO-1H-1,2,4-TRIAZOLE-3-CARBOXAMIDE DERIVATIVES KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1992-07-01 EP disclosed
EP-0282669-B1 HERBICIDAL 1,5-DIPHENYL-1H-1, 2,4-TRIAZOLE-3-CARBOXAMIDE DERIVATIVES KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1992-07-01 EP disclosed
EP-0285294-B1 PHENYLHYDRAZONE DERIVATIVE OF OXAMIDE AND HERBICIDAL COMPOSITION CONTAINING THE SAME KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1991-07-03 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
US-4968345-A SELECTIVE FOR WEEDS WITHOUT HARM TO CROPS KUREHA KAGAKU KOGYO KABUSHIKI KAISHI (JP) 1990-11-06 US disclosed
US-4919707-A Derivative of 1,5-diphenyl-1H-1,2,4-triazole-3-carboxamide and herbicidal composition containing the same KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1990-04-24 US disclosed
US-4897106-A Derivative of 4,5-dihydro-1H-1,2,4-triazole-3-carboxamide, and herbicidal composition containing the derivative KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1990-01-30 US disclosed
EP-0290682-A2 Herbicidal 4,5-dihydro-1H-1,2,4-triazole-3-carboxamide derivatives KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1988-11-17 EP disclosed
EP-0285294-A1 Phenylhydrazone derivative of oxamide and herbicidal composition containing the same KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1988-10-05 EP disclosed
EP-0282669-A1 Herbicidal 1,5-diphenyl-1H-1, 2,4-triazole-3-carboxamide derivatives KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1988-09-21 EP disclosed
EP-0279096-A2 Benzyl ether compound and process for producing the same KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1988-08-24 EP disclosed
JP-S63192739-A NOVEL NITROBENZENE DERIVATIVE AND PRODUCTION THEREOF KUREHA CHEM IND CO LTD 1988-08-10 JP disclosed