SCHEMBL9506259

SCHEMBL9506259

Nc1cccc(COCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 4/20 0.43
HPGD P15428 1/20 0.43
XBP1 P17861 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP2C9 P11712 1/20 0.36
RECQL P46063 1/20 0.36
MAOB P27338 5/20 0.36
MAOA P21397 2/20 0.36
TSHR P16473 2/20 0.35

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
SCHEMBL9504183 0.85 MRGPRX4 (0.44) NPSR1ALDH1A1MRGPRX4MAOBMAOA
SCHEMBL9504141 0.82 MRGPRX4 (0.46) NPSR1ALDH1A1MRGPRX4MAOBMAOA
SCHEMBL9507161 0.79 MRGPRX4 (0.51) NPSR1ALDH1A1LMNAMRGPRX4MAPT
SCHEMBL9504324 0.78 TSHR (0.43) NPSR1ALDH1A1LMNAHPGDXBP1
SCHEMBL9505456 0.77 ALDH1A1 (0.49) NPSR1ALDH1A1LMNAMRGPRX4MAPT
SCHEMBL366865 0.73 MAOB (0.56) ALDH1A1MRGPRX4TP53RECQLMAOB
SCHEMBL9506178 0.72 MAOB (0.44) NPSR1ALDH1A1MRGPRX4TP53RECQL
SCHEMBL9811762 0.70 ALDH1A1 (0.36) NPSR1ALDH1A1LMNAMRGPRX4MAPT
SCHEMBL18217412 0.69 MAOB (0.52) ALDH1A1MRGPRX4TP53RECQLMAOB
SCHEMBL497555 0.69 LMNA (0.43) NPSR1LMNAHPGDXBP1SMN1; SMN2

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 5 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
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