SCHEMBL6561541

SCHEMBL6561541

CCCc1ccc2c(OCCCSc3ccc(CC(=O)O)cc3Cl)cn(-c3ccc(Cl)cc3)c2c1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 12/20 0.57
PPARG P37231 10/20 0.57
PPARA Q07869 9/20 0.57
NR1H2 P55055 3/20 0.53
NR1H3 Q13133 3/20 0.53
PLA2G4A P47712 4/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SLC22A12 Q96S37 2/20 0.34

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
SCHEMBL6561529 0.83 PPARD (0.62) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL6560732 0.81 PPARD (0.53) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL6559190 0.75 PPARD (0.52) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL6559843 0.75 PPARD (0.60) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL6561712 0.73 PPARD (0.55) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL6561590 0.73 PPARD (0.82) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL6558756 0.73 PPARD (0.79) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL6561585 0.72 PPARD (1.00) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL6934158 0.72 PPARD (0.66) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL6931405 0.72 PPARD (0.69) PPARDPPARGPPARANR1H2NR1H3

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-0904079-B1 ANTIDIABETIC AGENTS MERCK & CO INC (US) 2004-03-24 EP disclosed
US-5859051-A ACETYLPHENOL DERIVATIVES MERCK & CO., INC. (US) 1999-01-12 US disclosed