SCHEMBL10682736

SCHEMBL10682736

Cc1oc(-c2ccccc2)nc1C(=O)COc1ccc(CC2NC(=O)SC2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 15/20 0.45
PPARA Q07869 10/20 0.45
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
FFAR1 O14842 1/20 0.43
CYP2C9 P11712 3/20 0.41
KCNH2 Q12809 3/20 0.41
CYP3A4 P08684 2/20 0.41
TARBP2 Q15633 2/20 0.41
MCHR1 Q99705 1/20 0.40

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
SCHEMBL10365048 0.87 PPARG (0.39) PPARGPPARAFFAR1CYP2C9
SCHEMBL6052101 0.84 PPARG (0.61) PPARGPPARACYP2C9KCNH2CYP3A4
SCHEMBL8030739 0.83 PPARG (0.59) PPARGPPARAFFAR1CYP2C9KCNH2
SCHEMBL10367300 0.83 PPARG (0.63) PPARGPPARAFFAR1CYP2C9
SCHEMBL131889 0.81 PPARG (0.45) PPARGPPARAFFAR1CYP2C9KCNH2
SCHEMBL10516260 0.78 TARBP2 (0.39) PPARGPPARAPOLBTDP1FFAR1
SCHEMBL1220163 0.78 PPARG (0.45) PPARGPPARAFFAR1CYP2C9KCNH2
SCHEMBL7160529 0.77 FFAR1 (0.45) PPARGPPARAPOLBTDP1FFAR1
SCHEMBL10365841 0.76 GPR35 (0.56) PPARGPOLB
SCHEMBL10365844 0.76 GPR35 (0.56) PPARGPOLB

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
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