SCHEMBL2904877

SCHEMBL2904877

C=C(C)CC(C(=O)N1C(=O)OCC1Cc1ccccc1)c1cc(-c2ccccc2)cc(OCc2ccccc2)c1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
IL6ST P40189 1/20 0.35
PPARA Q07869 1/20 0.35
PDE4B Q07343 1/20 0.34
PTPN1 P18031 5/20 0.34
PTPN6 P29350 3/20 0.34
PTPN2 P17706 2/20 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
PIK3CA P42336 2/20 0.33
MTOR P42345 2/20 0.33
HDAC1 Q13547 2/20 0.33
NAAA Q02083 1/20 0.33
FAAH O00519 1/20 0.32
RXRA P19793 1/20 0.32

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
SCHEMBL12781785 0.83 PSEN1 (0.42) CSNK2BCSNK2A1IL6STPPARAPDE4B
SCHEMBL12781784 0.83 PSEN1 (0.42) CSNK2BCSNK2A1IL6STPPARAPDE4B
SCHEMBL10077778 0.82 PSEN1 (0.54) PPARAPTPN1PTPN6PTPN2PSEN1
SCHEMBL8054840 0.82 PSEN1 (0.54) PPARAPTPN1PTPN6PTPN2PSEN1
SCHEMBL478018 0.82 PSEN1 (0.54) PPARAPTPN1PTPN6PTPN2PSEN1
SCHEMBL2898964 0.79 PPARA (0.36) CSNK2BCSNK2A1IL6STPPARAPSEN1
SCHEMBL2899451 0.78 PTPN1 (0.38) CSNK2BCSNK2A1PDE4BPTPN1PTPN6
SCHEMBL3916035 0.78 PTPN1 (0.41) PTPN1PTPN6PTPN2PSEN1PSEN2
SCHEMBL2902884 0.77 PPARA (0.39) CSNK2BCSNK2A1IL6STPPARAPSEN1
SCHEMBL12781779 0.74 PSEN1 (0.42) CSNK2BCSNK2A1IL6STPPARAPSEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2212287-A1 PIPERIDINYL AND PIPERAZINYL MODULATORS OF y-SECRETASE Janssen Pharmaceutica, N.V. (BE) 2010-08-04 EP disclosed
WO-2009052126-A1 PIPERIDINYL AND PIPERAZINYL MODULATORS OF γ-SECRETASE 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