SCHEMBL9506289

SCHEMBL9506289

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
CYP2D6 P10635 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
RECQL P46063 1/20 0.48
MAOB P27338 3/20 0.48
MAOA P21397 1/20 0.48
CYP1A2 P05177 1/20 0.47
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
FFAR1 O14842 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 3/20 0.44
LMNA P02545 1/20 0.43
CA12 O43570 1/20 0.43
HTR1A P08908 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 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
SCHEMBL6636271 0.83 TSHR (0.51) TSHRCYP2D6CYP2C9CYP2C19RECQL
SCHEMBL3721964 0.82 TSHR (0.57) TSHRCYP2D6CYP2C9CYP2C19MAOB
SCHEMBL1767329 0.82 TSHR (0.65) TSHRCYP2D6CYP2C9CYP2C19MAOB
SCHEMBL18400704 0.81 TSHR (0.56) TSHRCYP2D6CYP2C9CYP2C19RECQL
SCHEMBL9506155 0.79 TSHR (0.50) TSHRCYP2D6CYP2C9CYP2C19RECQL
SCHEMBL11214531 0.78 TSHR (0.56) TSHRCYP2D6CYP2C9CYP2C19RECQL
SCHEMBL8673409 0.78 TSHR (0.49) TSHRCYP2D6CYP2C9CYP2C19RECQL
SCHEMBL7861196 0.77 TSHR (0.59) TSHRCYP2D6CYP2C9CYP2C19MAOB
SCHEMBL791926 0.77 TSHR (0.62) TSHRCYP2D6CYP2C9CYP2C19RECQL
SCHEMBL30041959 0.77 TSHR (0.54) TSHRCYP2D6CYP2C9CYP2C19RECQL

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