SCHEMBL7044865

SCHEMBL7044865

CCCc1c(OCCCSc2ccc(C(C)C(=O)O)cc2Cl)ccc2c(CC)nsc12

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 12/20 0.54
PPARA Q07869 12/20 0.54
PPARD Q03181 11/20 0.54
NR1H2 P55055 2/20 0.47
NR1H3 Q13133 2/20 0.47
CYSLTR2 Q9NS75 1/20 0.38
CYSLTR1 Q9Y271 1/20 0.38
ACACB O00763 1/20 0.36
PDE5A O76074 2/20 0.33
SLC22A12 Q96S37 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32

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
SCHEMBL7039665 0.85 PPARD (0.73) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL7039142 0.85 PPARA (0.75) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL8669133 0.84 PPARG (0.53) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL7040931 0.83 PPARA (0.53) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL7042415 0.82 PPARD (0.62) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL7044850 0.82 PPARA (0.69) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL7046234 0.81 PPARD (0.62) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL6559207 0.80 PPARG (0.58) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL7046443 0.79 PPARD (0.60) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL6936685 0.79 PPARG (0.64) PPARGPPARAPPARDNR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882029-B1 HETEROCYCLIC DERIVATIVES AS ANTIDIABETIC AND ANTIOBESITY AGENTS MERCK & CO INC (US) 2003-04-02 EP claimed