SCHEMBL9504141

SCHEMBL9504141

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

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.46
MAOB P27338 7/20 0.42
MAOA P21397 2/20 0.42
CYP19A1 P11511 1/20 0.41
ALDH1A1 P00352 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
IDO1 P14902 3/20 0.40
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
TACR1 P25103 1/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
AGXT P21549 2/20 0.36

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 0.90 MRGPRX4 (0.44) MRGPRX4MAOBMAOACYP19A1ALDH1A1
SCHEMBL9507161 0.86 MRGPRX4 (0.51) MRGPRX4MAOBMAOACYP19A1ALDH1A1
SCHEMBL9811760 0.83 ALDH1A1 (0.38) MRGPRX4MAOBALDH1A1NPSR1IDO1
SCHEMBL9506259 0.82 NPSR1 (0.44) MRGPRX4MAOBMAOACYP19A1ALDH1A1
SCHEMBL366865 0.80 MAOB (0.56) MRGPRX4MAOBMAOACYP19A1ALDH1A1
SCHEMBL9506178 0.79 MAOB (0.44) MRGPRX4MAOBMAOACYP19A1ALDH1A1
SCHEMBL9505456 0.78 ALDH1A1 (0.49) MRGPRX4MAOBMAOACYP19A1ALDH1A1
SCHEMBL18217412 0.76 MAOB (0.52) MRGPRX4MAOBMAOACYP19A1ALDH1A1
SCHEMBL15152717 0.75 THRA (0.51) MAOBMAOACYP19A1ALDH1A1
SCHEMBL22469788 0.74 TSHR (0.62) MAOBMAOACYP19A1IDO1TSHR

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