SCHEMBL3656017

SCHEMBL3656017

CC(CCCNc1cc(CC(=O)O)cc(-c2ccc(C(F)(F)F)cc2)c1)Cc1cc(F)cc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXRA P19793 7/20 0.46
RXRG P48443 7/20 0.46
RXRB P28702 6/20 0.46
PPARA Q07869 6/20 0.43
PPARD Q03181 8/20 0.41
PSEN1 P49768 2/20 0.39
PSEN2 P49810 2/20 0.39
APH1B Q8WW43 2/20 0.39
NCSTN Q92542 2/20 0.39
APH1A Q96BI3 2/20 0.39
PSENEN Q9NZ42 2/20 0.39
PPARG P37231 1/20 0.36

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
SCHEMBL3656696 0.88 PPARA (0.38) RXRARXRGRXRBPPARAPPARD
SCHEMBL3656006 0.83 PSEN1 (0.59) RXRARXRGRXRBPPARAPSEN1
SCHEMBL4540532 0.76 RXRA (0.47) RXRARXRGRXRBPPARAPPARD
SCHEMBL3657611 0.75 PSEN1 (0.61) RXRARXRGRXRBPPARAPSEN1
SCHEMBL491483 0.71 RXRA (0.71) RXRARXRGRXRBPPARAPPARD
SCHEMBL8047507 0.71 GCGR (0.48) RXRARXRGRXRBPPARAPPARD
SCHEMBL3656015 0.71 RXRA (0.47) RXRARXRGRXRBPPARAPPARD
SCHEMBL3651166 0.71 PSEN1 (0.48) RXRARXRGRXRBPSEN1PSEN2
SCHEMBL11989119 0.70 RXRA (0.49) RXRARXRGRXRBPPARAPPARD
SCHEMBL11988676 0.69 PSEN1 (0.40) RXRARXRGRXRBPPARAPPARD

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-2212277-A1 AMINE LINKED MODULATORS OF Y-SECRETASE Janssen Pharmaceutica, N.V. (BE) 2010-08-04 EP disclosed
WO-2009052350-A1 AMINE LINKED MODULATORS OF Y-SECRETASE JANSSEN PHARMACEUTICA, N.V. (BE) 2009-04-23 WO disclosed