SCHEMBL6495040

SCHEMBL6495040

CCOC(=O)C(CC)Cc1ccc(OC)c(CCOc2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 18/20 0.62
PPARD Q03181 12/20 0.62
PPARG P37231 12/20 0.55
EPHX2 P34913 2/20 0.51
PSEN1 P49768 2/20 0.48
PSEN2 P49810 2/20 0.48
APH1B Q8WW43 2/20 0.48
NCSTN Q92542 2/20 0.48
APH1A Q96BI3 2/20 0.48
PSENEN Q9NZ42 2/20 0.48

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
SCHEMBL6495524 0.90 PPARA (0.76) PPARAPPARDPPARGPSEN1PSEN2
SCHEMBL6493850 0.86 PPARA (0.50) PPARAPPARDPPARG
SCHEMBL3949860 0.85 PPARA (0.81) PPARAPPARDPPARGEPHX2PSEN1
SCHEMBL6493866 0.83 PPARA (0.60) PPARAPPARDPPARGEPHX2PSEN1
SCHEMBL3951442 0.82 PPARA (0.81) PPARAPPARDPPARGEPHX2PSEN1
SCHEMBL3947438 0.81 PPARA (0.84) PPARAPPARDPPARGEPHX2PSEN1
SCHEMBL3945228 0.81 PPARD (0.82) PPARAPPARDPPARGEPHX2
SCHEMBL6505645 0.79 PPARA (0.55) PPARAPPARDPPARG
SCHEMBL4041201 0.77 PPARA (1.00) PPARAPPARDPPARGPSEN1PSEN2
SCHEMBL6503458 0.77 PPARA (0.52) PPARAPPARDPPARGEPHX2

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
US-6884821-B1 Carboxylic acid derivatives and drugs containing the same EISAI CO., LTD. (JP) 2005-04-26 US disclosed
EP-1216980-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-06-26 EP disclosed