SCHEMBL6232813

SCHEMBL6232813

COc1ccc(C=O)cc1C(=O)CCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 13/20 0.62
PPARG P37231 2/20 0.62
PSEN1 P49768 1/20 0.49
PSEN2 P49810 1/20 0.49
APH1B Q8WW43 1/20 0.49
NCSTN Q92542 1/20 0.49
APH1A Q96BI3 1/20 0.49
PSENEN Q9NZ42 1/20 0.49
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PPARD Q03181 5/20 0.46
PTPN7 P35236 1/20 0.45
DUSP3 P51452 1/20 0.45
MMP1 P03956 1/20 0.44
FFAR1 O14842 1/20 0.43
FFAR2 O15552 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
ALDH1A1 P00352 1/20 0.42
AOX1 Q06278 1/20 0.42

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
SCHEMBL6236787 0.81 ESRRA (0.61) PPARAPPARG
SCHEMBL6232460 0.81 ESRRA (0.61) PPARAPPARG
SCHEMBL6232457 0.81 ESRRA (0.61) PPARAPPARG
SCHEMBL5974242 0.81 PSEN1 (0.73) PPARAPPARGPSEN1PSEN2APH1B
SCHEMBL3739850 0.80 PPARA (0.60) PPARAPPARGMEN1KMT2APPARD
SCHEMBL3943365 0.77 PPARD (0.58) PPARAPPARGMEN1KMT2APPARD
SCHEMBL3946807 0.77 PPARA (1.00) PPARAPPARGPSEN1PSEN2APH1B
SCHEMBL3735519 0.77 ACHE (0.65) PPARAPPARGPPARDFFAR1FFAR2
SCHEMBL856842 0.74 ALDH1A1 (0.60) MEN1KMT2AALDH1A1
SCHEMBL6232308 0.74 PPARG (0.56) PPARAPPARGMEN1KMT2APPARD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1213287-B1 SUBSTITUTED BENZYLTHIAZOLIDINE-2,4-DIONE DERIVATIVES KYORIN SEIYAKU KK (JP) 2005-05-25 EP disclosed
US-6730687-B1 THERAPY OF METABOLIC DISEASES SUCH AS DIABETES AND HYPERLIPIDEMIA AS AGONISTS OF PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR KYORIN PHARMACEUTICAL CO., LTD. (JP) 2004-05-04 US disclosed
EP-1213287-A1 SUBSTITUTED BENZYLTHIAZOLIDINE-2,4-DIONE DERIVATIVES KYORIN PHARMACEUTICAL CO., LTD. (JP) 2002-06-12 EP disclosed