SCHEMBL2902884

SCHEMBL2902884

CC(C)CC(C(=O)N1C(=O)OCC1Cc1ccccc1)c1cc(-c2ccccc2)cc(O)c1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.39
HDAC1 Q13547 3/20 0.35
IL6ST P40189 1/20 0.35
CSNK2B P67870 1/20 0.34
CSNK2A1 P68400 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
NAAA Q02083 1/20 0.34
IDH1 O75874 5/20 0.33
AVPR1A P37288 1/20 0.32
AR P10275 2/20 0.31
FAAH O00519 1/20 0.31
PPARG P37231 1/20 0.31

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
SCHEMBL2898964 0.86 PPARA (0.36) PPARAHDAC1IL6STCSNK2BCSNK2A1
SCHEMBL3655500 0.83 PPARA (0.37) PPARAHDAC1IL6STCSNK2BCSNK2A1
SCHEMBL8085091 0.82 PSEN1 (0.54) PPARAHDAC1IL6STPSEN1PSEN2
SCHEMBL491367 0.82 PSEN1 (0.54) PPARAHDAC1IL6STPSEN1PSEN2
SCHEMBL8077636 0.82 PSEN1 (0.54) PPARAHDAC1IL6STPSEN1PSEN2
SCHEMBL12781780 0.81 PPARA (0.41) PPARAHDAC1IL6STCSNK2BCSNK2A1
SCHEMBL12781777 0.81 PPARA (0.41) PPARAHDAC1IL6STCSNK2BCSNK2A1
SCHEMBL27847733 0.81 PSEN1 (0.32) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL477989 0.81 PSEN1 (0.48) PPARAHDAC1IL6STPSEN1PSEN2
SCHEMBL8073476 0.81 PSEN1 (0.48) PPARAHDAC1IL6STPSEN1PSEN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2215044-A1 BIPHENYL CARBOXYLIC ACIDS AND DERIVATIVES THEREOF Janssen Pharmaceutica, N.V. (BE) 2010-08-11 EP disclosed
EP-2212287-A1 PIPERIDINYL AND PIPERAZINYL MODULATORS OF y-SECRETASE Janssen Pharmaceutica, N.V. (BE) 2010-08-04 EP disclosed
EP-2209764-A1 GSM INTERMEDIATES Janssen Pharmaceutica, N.V. (BE) 2010-07-28 EP disclosed
WO-2009052126-A1 PIPERIDINYL AND PIPERAZINYL MODULATORS OF γ-SECRETASE JANSSEN PHARMACEUTICA, N.V. (BE) 2009-04-23 WO disclosed
WO-2009052341-A1 GSM INTERMEDIATES JANSSEN PHARMACEUTICA, N.V. (BE) 2009-04-23 WO disclosed
WO-2009051948-A1 BIPHENYL CARBOXYLIC ACIDS AND DERIVATIVES THEREOF JANSSEN PHARMACEUTICA, N.V. (BE) 2009-04-23 WO disclosed
EP-2021314-A1 SUBSTITUTED BIPHENYL CARBOXYLIC ACIDS AND DERIVATIVES THEREOF Ortho-McNeil Pharmaceutical, Inc. (US) 2009-02-11 EP disclosed
EP-2016039-A1 TERPHENYL DERIVATIVES FOR TREATMENT OF ALZHEIMER' S DISEASE Ortho-Mcneil Pharmaceutical, Inc. (US) 2009-01-21 EP disclosed
WO-2007124351-A1 TERPHENYL DERIVATIVES FOR TREATMENT OF ALZHEIMER' S DISEASE ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2007-11-01 WO disclosed
WO-2007124394-A1 SUBSTITUTED BIPHENYL CARBOXYLIC ACIDS AND DERIVATIVES THEREOF ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2007-11-01 WO disclosed