SCHEMBL5798422

SCHEMBL5798422

Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC2SC(=O)N(CCC(=O)OC(C)(C)C)C2=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARG P37231 18/20 0.55
PPARA Q07869 18/20 0.55
CYP2C9 P11712 3/20 0.55
CYP3A4 P08684 2/20 0.55
KCNH2 Q12809 2/20 0.55
PPARD Q03181 4/20 0.51

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
SCHEMBL5819389 0.87 PPARG (0.57) PPARGPPARACYP2C9CYP3A4KCNH2
SCHEMBL5823378 0.80 PPARG (0.57) PPARGPPARACYP2C9CYP3A4KCNH2
SCHEMBL5798755 0.79 PPARA (0.51) PPARGPPARAPPARD
SCHEMBL5798753 0.79 PPARA (0.51) PPARGPPARAPPARD
SCHEMBL4283015 0.76 PPARG (0.63) PPARGPPARACYP2C9CYP3A4KCNH2
SCHEMBL170065 0.76 PPARG (0.63) PPARGPPARACYP2C9CYP3A4KCNH2
SCHEMBL10367689 0.76 PPARG (0.60) PPARGPPARACYP2C9CYP3A4KCNH2
SCHEMBL13718953 0.75 PPARA (0.64) PPARGPPARAPPARD
SCHEMBL4026294 0.74 PPARG (0.57) PPARGPPARAPPARD
SCHEMBL12616442 0.74 PPARG (0.84) PPARGPPARACYP2C9

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
WO-2006041921-A2 PREPARATION AND USES OF RHODANINE DERIVATIVES AUSPEX PHARMACEUTICALS, INC. (US) 2006-04-20 WO disclosed