SCHEMBL5011544

SCHEMBL5011544

NC(=O)Cc1ccc(-c2ccc(CC(O)(F)F)cc2)c(F)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RORC P51449 7/20 0.46
DGAT1 O75907 2/20 0.45
SOAT1 P35610 2/20 0.45
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
APP P05067 1/20 0.38
RARB P10826 1/20 0.37
CA2 P00918 1/20 0.37

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
SCHEMBL5011613 0.80 APP (0.56) RORCAPP
SCHEMBL5011741 0.77 APP (0.55) RORCPSEN1PSEN2APH1BNCSTN
SCHEMBL4496621 0.76 DGAT1 (0.43) DGAT1SOAT1PSEN1PSEN2APH1B
SCHEMBL1115081 0.71 CA2 (0.52) CA2
SCHEMBL29718749 0.71 CA2 (0.52) CA2
SCHEMBL5011588 0.71 APP (0.45) RORCPSEN1PSEN2APH1BNCSTN
SCHEMBL29580771 0.71 ALDH1A1 (0.57) CA2
SCHEMBL27776461 0.71 KIF11 (0.50) CA2
SCHEMBL5009692 0.69 APP (0.56) RORCPSEN1PSEN2APH1BNCSTN
SCHEMBL31481107 0.69 CA2 (0.42) CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1893562-A1 REVERSIBLE INHIBITORS OF MONOAMINE OXIDASE A AND B Merck Frosst Canada Ltd. (CA) 2008-03-05 EP claimed
WO-2006133559-A1 REVERSIBLE INHIBITORS OF MONOAMINE OXIDASE A AND B MERCK FROSST CANADA LTD. (CA) 2006-12-21 WO claimed