SCHEMBL10364877

SCHEMBL10364877

Cc1oc(-c2ccccc2)nc1COc1ccc(CC2SC(=N)NC2=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 14/20 0.57
PPARA Q07869 10/20 0.57
FFAR1 O14842 4/20 0.56
MAOB P27338 1/20 0.51
KDR P35968 1/20 0.48
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
KCNH2 Q12809 1/20 0.46

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
SCHEMBL10367689 0.92 PPARG (0.60) PPARGPPARACYP3A4CYP2C9KCNH2
SCHEMBL6531845 0.91 PPARG (0.61) PPARGPPARAFFAR1KDR
SCHEMBL6959897 0.88 KDR (0.47) PPARGPPARAFFAR1MAOBKDR
SCHEMBL10365888 0.85 PPARG (0.52) PPARGPPARACYP3A4CYP2C9KCNH2
SCHEMBL10366694 0.83 MAOB (0.47) PPARGPPARAFFAR1MAOBCYP3A4
SCHEMBL4283015 0.83 PPARG (0.63) PPARGPPARACYP3A4CYP2C9KCNH2
SCHEMBL170065 0.83 PPARG (0.63) PPARGPPARACYP3A4CYP2C9KCNH2
SCHEMBL8140646 0.81 PPARG (0.59) PPARGPPARA
SCHEMBL6968334 0.81 FFAR1 (0.63) PPARGPPARAFFAR1KDR
SCHEMBL8461494 0.81 FFAR1 (0.60) PPARGPPARAFFAR1

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