SCHEMBL9504183

SCHEMBL9504183

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.44
MAOB P27338 7/20 0.40
MAOA P21397 2/20 0.40
ALDH1A1 P00352 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP19A1 P11511 1/20 0.39
IDO1 P14902 3/20 0.38
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
TACR1 P25103 1/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
RORC P51449 1/20 0.34
AGXT P21549 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
SCHEMBL9504141 0.90 MRGPRX4 (0.46) MRGPRX4MAOBMAOAALDH1A1NPSR1
SCHEMBL9506259 0.85 NPSR1 (0.44) MRGPRX4MAOBMAOAALDH1A1NPSR1
SCHEMBL9811762 0.84 ALDH1A1 (0.36) MRGPRX4MAOBALDH1A1NPSR1IDO1
SCHEMBL9507161 0.83 MRGPRX4 (0.51) MRGPRX4MAOBMAOAALDH1A1NPSR1
SCHEMBL366865 0.77 MAOB (0.56) MRGPRX4MAOBMAOAALDH1A1CYP19A1
SCHEMBL9506178 0.77 MAOB (0.44) MRGPRX4MAOBMAOAALDH1A1NPSR1
SCHEMBL9185595 0.77 ALDH1A1 (0.67) MRGPRX4ALDH1A1NPSR1
SCHEMBL9505456 0.76 ALDH1A1 (0.49) MRGPRX4MAOBMAOAALDH1A1NPSR1
SCHEMBL9504303 0.76 TSHR (0.48) MAOBMAOAALDH1A1TSHRKDM4E
SCHEMBL9811760 0.74 ALDH1A1 (0.38) MRGPRX4MAOBALDH1A1NPSR1IDO1

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