SCHEMBL4263036

SCHEMBL4263036

CC(C)CC(C(=O)O)c1cc(Oc2cccc(C(F)(F)F)c2)cc(-c2ccccc2C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.52
PSEN2 P49810 2/20 0.52
APH1B Q8WW43 2/20 0.52
NCSTN Q92542 2/20 0.52
APH1A Q96BI3 2/20 0.52
PSENEN Q9NZ42 2/20 0.52
AKR1C3 P42330 9/20 0.45
AKR1C2 P52895 9/20 0.45
AKR1C4 P17516 2/20 0.45
AKR1C1 Q04828 2/20 0.45
AKR1B10 O60218 1/20 0.45
PPARG P37231 5/20 0.42
PPARA Q07869 2/20 0.42
APP P05067 1/20 0.41
PTGS1 P23219 1/20 0.40
TP53 P04637 1/20 0.39
PTGS2 P35354 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
SCHEMBL3978673 0.92 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3905347 0.87 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14646848 0.86 PSEN1 (0.71) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3904154 0.86 PSEN1 (0.71) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3913201 0.84 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3898709 0.83 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL491422 0.82 PSEN1 (0.78) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3900265 0.82 PSEN1 (0.74) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27835586 0.80 AKR1C3 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13762447 0.80 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A

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-2021314-A1 SUBSTITUTED BIPHENYL CARBOXYLIC ACIDS AND DERIVATIVES THEREOF Ortho-McNeil Pharmaceutical, Inc. (US) 2009-02-11 EP disclosed
WO-2007124394-A1 SUBSTITUTED BIPHENYL CARBOXYLIC ACIDS AND DERIVATIVES THEREOF ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2007-11-01 WO disclosed