SCHEMBL8669133

SCHEMBL8669133

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

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.53
PPARA Q07869 10/20 0.53
PPARD Q03181 9/20 0.53
NR1H2 P55055 2/20 0.46
NR1H3 Q13133 2/20 0.46
LMNA P02545 2/20 0.45
PKM P14618 2/20 0.45
HTT P42858 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
PTGS2 P35354 5/20 0.36
ACACB O00763 1/20 0.36
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYSLTR2 Q9NS75 1/20 0.33
CYSLTR1 Q9Y271 1/20 0.33

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
SCHEMBL7040931 0.93 PPARA (0.53) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL7039665 0.85 PPARD (0.73) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL7046133 0.84 PPARA (0.74) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL7044865 0.84 PPARG (0.54) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL7042415 0.84 PPARD (0.62) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL6938537 0.76 PPARG (0.49) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL7044053 0.74 PPARA (0.67) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL6932943 0.74 PPARG (0.60) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL8442373 0.73 PPARG (0.46) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL7037984 0.72 PPARA (0.59) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882029-A1 HETEROCYCLIC DERIVATIVES AS ANTIDIABETIC AND ANTIOBESITY AGENTS Merck & Co., Inc. (US) 1998-12-09 EP disclosed
WO-1997028137-A1 HETEROCYCLIC DERIVATIVES AS ANTIDIABETIC AND ANTIOBESITY AGENTS MERCK & CO., INC. (US) 1997-08-07 WO disclosed