SCHEMBL6679387

SCHEMBL6679387

CCCC(=O)OC1C=CC(=O)C1OC(=O)CCC

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 2/20 0.38
PPARG P37231 2/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
ALDH1A1 P00352 3/20 0.36
DNTT P04053 1/20 0.33
SLC18A3 Q16572 1/20 0.33
CYP19A1 P11511 2/20 0.32
CYP1A2 P05177 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
BLM P54132 1/20 0.32
WRN Q14191 1/20 0.32
HIF1A Q16665 1/20 0.32
BCL9 O00512 1/20 0.30
CTNNB1 P35222 1/20 0.30

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
SCHEMBL6676582 0.90 PPARG (0.41) NLRP3PPARGPPARDPPARADNTT
SCHEMBL6675203 0.89 PPARG (0.46) NLRP3PPARGPPARDPPARADNTT
SCHEMBL6680397 0.88 PPARG (0.48) NLRP3PPARGPPARDPPARADNTT
SCHEMBL6675746 0.88 PPARG (0.48) NLRP3PPARGPPARDPPARADNTT
SCHEMBL6676379 0.88 PPARG (0.48) NLRP3PPARGPPARDPPARADNTT
SCHEMBL6680654 0.86 ALDH1A1 (0.41) PPARGPPARDPPARAALDH1A1DNTT
SCHEMBL6676518 0.77 TRPA1 (0.35) PPARGPPARDPPARAALDH1A1DNTT
SCHEMBL6678682 0.73 POLB (0.40) NLRP3PPARGPPARDPPARACYP2C19
SCHEMBL6674835 0.72 TAS1R3 (0.33) PPARGPPARDPPARADNTT
Methyl Alcohol SCHEMBL6679682 0.72 POLB (0.39) CYP2C19

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
EP-1112742-B1 REMEDIES OR PREVENTIVES CONTAINING CYCLOPENTENONE COMPOUNDS AS THE ACTIVE INGREDIENT TAKARA BIO INC (JP) 2004-11-03 EP claimed
EP-1112742-B1 REMEDIES OR PREVENTIVES CONTAINING CYCLOPENTENONE COMPOUNDS AS THE ACTIVE INGREDIENT TAKARA BIO INC (JP) 2004-11-03 EP disclosed