SCHEMBL6494547

SCHEMBL6494547

CCC(Cc1ccc(OC)c(COCc2ccc(C(F)(F)F)cc2)c1)C(=O)O

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 19/20 0.74
PPARD Q03181 14/20 0.74
PPARG P37231 12/20 0.70
PSEN1 P49768 2/20 0.63
PSEN2 P49810 2/20 0.63
APH1B Q8WW43 2/20 0.63
NCSTN Q92542 2/20 0.63
APH1A Q96BI3 2/20 0.63
PSENEN Q9NZ42 2/20 0.63

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
SCHEMBL6493866 0.90 PPARA (0.60) PPARAPPARDPPARGPSEN1PSEN2
SCHEMBL4041201 0.85 PPARA (1.00) PPARAPPARDPPARGPSEN1PSEN2
SCHEMBL6497980 0.83 PPARA (0.54) PPARAPPARDPPARGPSEN1PSEN2
SCHEMBL6495524 0.82 PPARA (0.76) PPARAPPARDPPARGPSEN1PSEN2
SCHEMBL3943372 0.82 PPARD (1.00) PPARAPPARDPPARG
SCHEMBL3952548 0.82 PPARA (1.00) PPARAPPARDPPARGPSEN1PSEN2
SCHEMBL6503203 0.79 PPARA (0.48) PPARAPPARDPPARG
SCHEMBL3948697 0.79 PPARA (1.00) PPARAPPARDPPARGPSEN1PSEN2
SCHEMBL6498633 0.78 PPARA (0.86) PPARAPPARDPPARGPSEN1PSEN2
SCHEMBL3946807 0.78 PPARA (1.00) 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