SCHEMBL9507161

SCHEMBL9507161

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

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.51
MAOB P27338 6/20 0.46
IDO1 P14902 2/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
LMNA P02545 1/20 0.45
MAOA P21397 2/20 0.44
ALDH1A1 P00352 4/20 0.44
CYP19A1 P11511 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
TACR1 P25103 1/20 0.42
AGXT P21549 1/20 0.41
MAPT P10636 1/20 0.39

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 0.86 MRGPRX4 (0.46) MRGPRX4MAOBIDO1TSHRMAPK1
SCHEMBL9504183 0.83 MRGPRX4 (0.44) MRGPRX4MAOBIDO1TSHRMAPK1
SCHEMBL366865 0.82 MAOB (0.56) MRGPRX4MAOBIDO1TSHRMAOA
SCHEMBL9506178 0.82 MAOB (0.44) MRGPRX4MAOBIDO1MAOAALDH1A1
SCHEMBL9811761 0.81 ALDH1A1 (0.48) MRGPRX4MAOBIDO1LMNAALDH1A1
SCHEMBL9505456 0.81 ALDH1A1 (0.49) MRGPRX4MAOBIDO1TSHRMAPK1
SCHEMBL14750110 0.80 IDO1 (0.56) MAOBIDO1LMNAMAOAALDH1A1
SCHEMBL18217412 0.79 MAOB (0.52) MRGPRX4MAOBIDO1TSHRMAOA
SCHEMBL9506259 0.79 NPSR1 (0.44) MRGPRX4MAOBIDO1TSHRMAPK1
SCHEMBL14750058 0.79 IDO1 (0.55) MAOBIDO1LMNAMAOAALDH1A1

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 3 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