SCHEMBL6497829

SCHEMBL6497829

COc1ccc(CCC(=O)O)cc1C(=O)NCc1ccc(C(F)(F)F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 18/20 1.00
PPARG P37231 7/20 0.88
PPARD Q03181 8/20 0.72
PSEN1 P49768 3/20 0.68
PSEN2 P49810 3/20 0.68
APH1B Q8WW43 3/20 0.68
NCSTN Q92542 3/20 0.68
APH1A Q96BI3 3/20 0.68
PSENEN Q9NZ42 3/20 0.68
FFAR1 O14842 1/20 0.54
FFAR2 O15552 1/20 0.54
FFAR4 Q5NUL3 1/20 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
SCHEMBL5974097 0.89 PPARA (0.80) PPARAPPARGPPARDPSEN1PSEN2
SCHEMBL6495223 0.87 PPARA (0.77) PPARAPPARGPPARDPSEN1PSEN2
SCHEMBL1633822 0.86 PPARA (0.76) PPARAPPARGPPARDPSEN1PSEN2
SCHEMBL6380273 0.84 PPARA (0.84) PPARAPPARGPPARDPSEN1PSEN2
SCHEMBL11481162 0.84 PPARA (0.73) PPARAPPARGPPARDPSEN1PSEN2
SCHEMBL5974323 0.84 PPARA (0.72) PPARAPPARGPPARDPSEN1PSEN2
SCHEMBL5974875 0.84 PPARA (0.72) PPARAPPARGPPARDPSEN1PSEN2
SCHEMBL6376128 0.83 PPARA (1.00) PPARAPPARGPPARDPSEN1PSEN2
SCHEMBL5974498 0.83 PPARA (0.72) PPARAPPARGPPARDPSEN1PSEN2
SCHEMBL6505836 0.83 PPARA (0.81) PPARAPPARGPPARDPSEN1PSEN2

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