SCHEMBL6560087

SCHEMBL6560087

CCCc1c(CCNC(=O)OC(C)(C)C)cccc1OCCCSc1ccc(OC(C)=O)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.43
PPARD Q03181 8/20 0.43
PPARA Q07869 8/20 0.43
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
LMNA P02545 3/20 0.38
HTT P42858 2/20 0.38
NPC1 O15118 1/20 0.38
PKM P14618 1/20 0.38
RAB9A P51151 1/20 0.38
NQO2 P16083 1/20 0.38
HPGD P15428 2/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TSHR P16473 1/20 0.37
IDO1 P14902 1/20 0.37
PTGS2 P35354 3/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL6560130 0.94 PPARG (0.42) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6560640 0.85 PPARG (0.42) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6560686 0.79 PPARG (0.41) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6560623 0.78 PPARD (0.47) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6938537 0.71 PPARG (0.49) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6932943 0.71 PPARG (0.60) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL8669133 0.71 PPARG (0.53) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL7046133 0.70 PPARA (0.74) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL8442373 0.69 PPARG (0.46) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL8444011 0.69 PPARG (0.42) PPARGPPARDPPARANR1H2NR1H3

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-0904079-B1 ANTIDIABETIC AGENTS MERCK & CO INC (US) 2004-03-24 EP disclosed