SCHEMBL9827428

SCHEMBL9827428

Cc1nc(CCOc2ccc(CC3SC(=N)NC3=O)cc2)oc1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.50
FFAR1 O14842 6/20 0.43
PPARG P37231 13/20 0.43
RXRA P19793 2/20 0.42
CYP3A4 P08684 1/20 0.42
ESR1 P03372 1/20 0.40
PPARA Q07869 1/20 0.40
RARG P13631 1/20 0.39

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
SCHEMBL9828248 0.87 MAOB (0.50) MAOBFFAR1PPARGRXRACYP3A4
SCHEMBL9828278 0.85 MAOB (0.49) MAOBFFAR1PPARGRXRACYP3A4
SCHEMBL10367689 0.82 PPARG (0.60) PPARGCYP3A4PPARA
SCHEMBL9827179 0.78 PPARG (0.44) MAOBFFAR1PPARGRXRACYP3A4
SCHEMBL9458436 0.78 PPARG (0.53) MAOBFFAR1PPARGRXRACYP3A4
SCHEMBL8458527 0.78 FFAR1 (0.54) FFAR1PPARGRXRACYP3A4RARG
SCHEMBL12521889 0.78 MAOB (0.74) MAOBFFAR1PPARGESR1PPARA
SCHEMBL10364877 0.77 PPARG (0.57) MAOBFFAR1PPARGCYP3A4PPARA
SCHEMBL9827679 0.75 PPARG (0.57) FFAR1PPARGRXRACYP3A4PPARA
SCHEMBL12521870 0.75 PPARG (0.61) FFAR1PPARGRXRAPPARARARG

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-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