SCHEMBL10367689

SCHEMBL10367689

Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC2SC(=N)NC2=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARG P37231 20/20 0.60
PPARA Q07869 15/20 0.60
CYP2C9 P11712 3/20 0.55
CYP3A4 P08684 2/20 0.55
KCNH2 Q12809 2/20 0.55
PPARD Q03181 5/20 0.54

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
SCHEMBL10365888 0.92 PPARG (0.52) PPARGPPARACYP2C9CYP3A4KCNH2
SCHEMBL10364877 0.92 PPARG (0.57) PPARGPPARACYP2C9CYP3A4KCNH2
SCHEMBL4283015 0.92 PPARG (0.63) PPARGPPARACYP2C9CYP3A4KCNH2
SCHEMBL170065 0.92 PPARG (0.63) PPARGPPARACYP2C9CYP3A4KCNH2
SCHEMBL8140646 0.90 PPARG (0.59) PPARGPPARA
SCHEMBL10366928 0.88 PPARG (0.48) PPARGPPARACYP2C9CYP3A4KCNH2
SCHEMBL10858398 0.88 PPARG (0.47) PPARGPPARACYP2C9CYP3A4KCNH2
SCHEMBL10364912 0.88 PPARG (0.54) PPARGPPARACYP2C9CYP3A4KCNH2
SCHEMBL10861819 0.87 PPARG (0.56) PPARGPPARACYP2C9CYP3A4KCNH2
SCHEMBL10366694 0.84 MAOB (0.47) PPARGPPARACYP2C9CYP3A4KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0177353-B1 THIAZOLIDINEDIONE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1990-04-11 EP disclosed
US-4725610-A TREATMENT OF HYPERLIPEMIA AND DIABETES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-02-16 US disclosed
EP-0177353-A2 Thiazolidinedione derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1986-04-09 EP disclosed