SCHEMBL6496446

SCHEMBL6496446

CCCOC(Cc1ccc(OC)c(CNC(=O)c2ccc(C(F)(F)F)cc2F)c1)C(=O)O

nearest known ligand 0.76

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 20/20 0.76
PPARD Q03181 17/20 0.76
PPARG P37231 16/20 0.76
PSEN1 P49768 2/20 0.54
PSEN2 P49810 2/20 0.54
APH1B Q8WW43 2/20 0.54
NCSTN Q92542 2/20 0.54
APH1A Q96BI3 2/20 0.54
PSENEN Q9NZ42 2/20 0.54

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
SCHEMBL6060693 0.88 PPARA (0.75) PPARAPPARDPPARGPSEN1PSEN2
SCHEMBL6505998 0.88 PPARA (0.58) PPARAPPARDPPARG
SCHEMBL6060697 0.88 PPARA (0.75) PPARAPPARDPPARGPSEN1PSEN2
SCHEMBL23752211 0.86 PPARA (1.00) PPARAPPARDPPARGPSEN1PSEN2
SCHEMBL18644833 0.86 PPARA (1.00) PPARAPPARDPPARGPSEN1PSEN2
SCHEMBL6503673 0.86 PPARA (0.86) PPARAPPARDPPARGPSEN1PSEN2
SCHEMBL6495032 0.83 PPARA (0.62) PPARAPPARDPPARG
SCHEMBL6502380 0.82 PPARA (0.69) PPARAPPARDPPARGPSEN1PSEN2
SCHEMBL6496008 0.81 PPARA (0.83) PPARAPPARDPPARGPSEN1PSEN2
SCHEMBL6495528 0.81 PPARA (0.52) PPARAPPARDPPARG

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