SCHEMBL8908572

SCHEMBL8908572

Cc1oc(CCOc2ccc(CC3NC(=O)SC3=O)cc2)nc1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 18/20 0.42
PPARA Q07869 12/20 0.42
CYP2C9 P11712 3/20 0.39
CYP3A4 P08684 2/20 0.39
KCNH2 Q12809 2/20 0.39
PPARD Q03181 2/20 0.39
HRH3 Q9Y5N1 1/20 0.38
PTGER4 P35408 1/20 0.37

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
SCHEMBL9827684 0.90 PPARG (0.38) PPARGPPARACYP2C9CYP3A4KCNH2
SCHEMBL6052101 0.83 PPARG (0.61) PPARGPPARACYP2C9CYP3A4KCNH2
SCHEMBL9411863 0.83 PPARG (0.47) PPARGPPARACYP2C9CYP3A4KCNH2
SCHEMBL8458527 0.82 FFAR1 (0.54) PPARGCYP3A4HRH3
SCHEMBL9829240 0.81 PPARG (0.37) PPARGPPARAPPARDHRH3
SCHEMBL9411875 0.81 PPARG (0.47) PPARGPPARACYP2C9CYP3A4KCNH2
SCHEMBL9828026 0.80 PPARG (0.40) PPARGPPARACYP3A4PPARDHRH3
SCHEMBL9411826 0.80 PPARG (0.43) PPARGPPARACYP2C9CYP3A4KCNH2
SCHEMBL9411839 0.80 PPARG (0.43) PPARGPPARACYP2C9CYP3A4KCNH2
SCHEMBL9828248 0.79 MAOB (0.50) PPARGPPARACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0208420-B1 THIAZOLIDINE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1991-09-18 EP claimed
US-4775687-A ANTIDIABETIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-10-04 US claimed
US-5594015-A Thiazolidine derivatives for the treatment of psoriasis REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1997-01-14 US disclosed
EP-0208420-B1 THIAZOLIDINE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1991-09-18 EP disclosed
US-4775687-A ANTIDIABETIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-10-04 US disclosed
EP-0208420-A1 Thiazolidine derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1987-01-14 EP disclosed