SCHEMBL9505456

SCHEMBL9505456

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

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
MRGPRX4 Q96LA9 1/20 0.45
LMNA P02545 2/20 0.38
MAPT P10636 1/20 0.38
MAOB P27338 6/20 0.38
MAOA P21397 2/20 0.38
CYP19A1 P11511 1/20 0.37
IDO1 P14902 2/20 0.36
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
TACR1 P25103 1/20 0.34

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
SCHEMBL9507161 0.81 MRGPRX4 (0.51) ALDH1A1NPSR1MRGPRX4LMNAMAPT
SCHEMBL9504141 0.78 MRGPRX4 (0.46) ALDH1A1NPSR1MRGPRX4MAOBMAOA
SCHEMBL9506259 0.77 NPSR1 (0.44) ALDH1A1NPSR1MRGPRX4LMNAMAPT
SCHEMBL9505495 0.77 TSHR (0.49) ALDH1A1NPSR1LMNAMAPTMAOB
SCHEMBL9504183 0.76 MRGPRX4 (0.44) ALDH1A1NPSR1MRGPRX4MAOBMAOA
SCHEMBL9684753 0.75 CYP3A4 (0.34) ALDH1A1NPSR1MRGPRX4MAPTIDO1
SCHEMBL366865 0.75 MAOB (0.56) ALDH1A1MRGPRX4MAOBMAOACYP19A1
SCHEMBL9506178 0.74 MAOB (0.44) ALDH1A1NPSR1MRGPRX4MAOBMAOA
SCHEMBL9811759 0.72 ALDH1A1 (0.58) ALDH1A1NPSR1LMNAMAPTIDO1
SCHEMBL18217412 0.71 MAOB (0.52) ALDH1A1MRGPRX4MAOBMAOACYP19A1

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
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-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