SCHEMBL3971787

SCHEMBL3971787

CC(=O)c1ccc(Cl)c(F)c1.CC(O)c1ccc(Cl)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 11/20 0.43
S1PR1 P21453 8/20 0.43
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
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 0.42
KCNQ3 O43525 2/20 0.40
KCNQ2 O43526 2/20 0.40
KCNE1 P15382 2/20 0.40
KCNQ1 P51787 2/20 0.40
KCNQ5 Q9NR82 1/20 0.40
FFAR1 O14842 1/20 0.38

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
SCHEMBL31611813 0.85 APP (0.44) S1PR3S1PR1PSEN1PSEN2APH1B
SCHEMBL3978580 0.85 APP (0.44) S1PR3S1PR1PSEN1PSEN2APH1B
SCHEMBL6100359 0.85 APP (0.44) S1PR3S1PR1PSEN1PSEN2APH1B
SCHEMBL29499491 0.85 KCNQ3 (0.49) CES2CES1KCNQ3KCNQ2KCNE1
SCHEMBL991621 0.85 KCNQ3 (0.49) CES2CES1KCNQ3KCNQ2KCNE1
SCHEMBL27753267 0.74 APP (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14790427 0.74 UGT2B7 (0.58)
SCHEMBL27243952 0.73 CES2 (0.49) S1PR3S1PR1CES2CES1KCNQ3
SCHEMBL31240253 0.72 APP (0.70) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1262317 0.72 MAPT (0.48)

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-2054410-A2 OXAZOLIDONE DERIVATIVES AS PR MODULATORS Wyeth (US) 2009-05-06 EP disclosed
WO-2008021331-A2 OXAZOLIDONE DERIVATIVES AS PR MODULATORS WYETH (US) 2008-02-21 WO disclosed