SCHEMBL6495372

SCHEMBL6495372

COc1ccc(C=O)cc1CNC(=O)c1ccc(C(F)(F)F)cc1F

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 19/20 0.64
PPARA Q07869 15/20 0.64
PPARG P37231 11/20 0.64
PSEN1 P49768 1/20 0.50
PSEN2 P49810 1/20 0.50
APH1B Q8WW43 1/20 0.50
NCSTN Q92542 1/20 0.50
APH1A Q96BI3 1/20 0.50
PSENEN Q9NZ42 1/20 0.50

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
SCHEMBL13460784 0.91 PPARD (0.56) PPARDPPARAPPARG
SCHEMBL13460768 0.90 PPARD (0.61) PPARDPPARAPPARG
SCHEMBL13460817 0.89 PPARD (0.62) PPARDPPARAPPARG
SCHEMBL13460749 0.88 PPARD (0.54) PPARDPPARAPPARG
SCHEMBL13460790 0.87 PPARD (0.56) PPARDPPARAPPARG
SCHEMBL13460782 0.87 PPARD (0.56) PPARDPPARAPPARG
SCHEMBL13460824 0.86 PPARD (0.60) PPARDPPARAPPARG
SCHEMBL6504855 0.86 PPARD (0.65) PPARDPPARAPPARGPSEN1PSEN2
SCHEMBL13460822 0.85 PPARD (0.59) PPARDPPARAPPARG
SCHEMBL13460923 0.84 PPARD (0.61) PPARDPPARAPPARG

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