SCHEMBL9504173

SCHEMBL9504173

O=[N+]([O-])c1cccc(COCC2CCCCC2)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.56
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TSHR P16473 1/20 0.48
CNR2 P34972 1/20 0.47
ALDH1A1 P00352 3/20 0.46
EPHX1 P07099 1/20 0.46
MAPT P10636 2/20 0.45
CYP19A1 P11511 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAOB P27338 2/20 0.44
MAOA P21397 1/20 0.44
TACR1 P25103 1/20 0.43
FAAH O00519 2/20 0.43

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
SCHEMBL14734876 0.93 TSHR (0.51) POLBMEN1KMT2ATSHRALDH1A1
SCHEMBL15498216 0.81 KMT2A (0.45) POLBMEN1KMT2ATSHRALDH1A1
SCHEMBL1767329 0.81 TSHR (0.65) MEN1KMT2ATSHRALDH1A1MAPT
SCHEMBL14735379 0.80 TSHR (0.49) POLBMEN1KMT2ATSHRMAOB
SCHEMBL18615730 0.79 POLB (0.60) POLBMEN1KMT2ATSHRALDH1A1
SCHEMBL7861196 0.76 TSHR (0.59) MEN1KMT2ATSHRALDH1A1MAPT
SCHEMBL15743613 0.76 ALDH1A1 (0.43) POLBMEN1KMT2ATSHRALDH1A1
SCHEMBL9506165 0.76 MAOB (0.40) CYP19A1MAOBMAOA
SCHEMBL14394308 0.76 CCNB2 (0.42)
SCHEMBL27631556 0.75 THRB (0.57) POLBALDH1A1MAPTKDM4E

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