SCHEMBL6496735

SCHEMBL6496735

CCCCOC(Cc1ccc(OC)c(C(=O)NCc2ccc(C(F)(F)F)cc2)c1)C(=O)OC

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 19/20 0.71
PPARD Q03181 9/20 0.71
PPARG P37231 8/20 0.71
PSEN1 P49768 3/20 0.65
PSEN2 P49810 3/20 0.65
APH1B Q8WW43 3/20 0.65
NCSTN Q92542 3/20 0.65
APH1A Q96BI3 3/20 0.65
PSENEN Q9NZ42 3/20 0.65

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
SCHEMBL6493880 0.94 PPARA (0.73) PPARAPPARDPPARGPSEN1PSEN2
SCHEMBL6496008 0.93 PPARA (0.83) PPARAPPARDPPARGPSEN1PSEN2
SCHEMBL6503575 0.89 PPARA (0.74) PPARAPPARDPPARGPSEN1PSEN2
SCHEMBL6503739 0.87 PPARA (0.71) PPARAPPARDPPARGPSEN1PSEN2
SCHEMBL6503673 0.87 PPARA (0.86) PPARAPPARDPPARGPSEN1PSEN2
SCHEMBL6497615 0.86 PPARA (0.84) PPARAPPARDPPARGPSEN1PSEN2
SCHEMBL6381889 0.83 PPARA (0.76) PPARAPPARDPPARGPSEN1PSEN2
SCHEMBL6494122 0.83 PPARA (1.00) PPARAPPARDPPARGPSEN1PSEN2
SCHEMBL6376562 0.83 PPARA (0.80) PPARAPPARDPPARGPSEN1PSEN2
SCHEMBL5974920 0.82 PPARA (0.73) PPARAPPARDPPARGPSEN1PSEN2

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