SCHEMBL3972311

SCHEMBL3972311

FC(F)(F)C1(c2ccccc2)OC1(F)F

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.38
MAOA P21397 4/20 0.38
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
OPRM1 P35372 1/20 0.32
OPRL1 P41146 1/20 0.32
PDK2 Q15119 1/20 0.31
GPR35 Q9HC97 1/20 0.30
EPHX2 P34913 1/20 0.30

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
SCHEMBL28812714 0.71 MAOB (0.36) MAOBMAOAALDH1A1TSHROPRM1
SCHEMBL1464628 0.67 MAOB (0.42) MAOBMAOAOPRM1OPRL1
SCHEMBL80368 0.67 KIF11 (0.43) MAOBMAOAALDH1A1TSHROPRM1
SCHEMBL9849230 0.67 ALDH1A1 (0.36) MAOBMAOAALDH1A1TSHROPRM1
SCHEMBL5275595 0.65 MAOB (0.39) MAOBMAOAALDH1A1TSHROPRM1
SCHEMBL8816598 0.65 PDK2 (0.41) PDK2
SCHEMBL13873625 0.64 MAOB (0.35) MAOBMAOA
SCHEMBL20087810 0.64 MAOB (0.38) MAOBMAOAALDH1A1TSHROPRM1
SCHEMBL27812683 0.62 MAOB (0.34) MAOBMAOAALDH1A1TSHROPRM1
SCHEMBL19717526 0.62 MAOB (0.62) MAOBMAOAOPRM1OPRL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009047112-A1 A LITHOGRAPHIC PRINTING PLATE PRECURSOR AGFA GRAPHICS NV (BE) 2009-04-16 WO disclosed