SCHEMBL8716776

SCHEMBL8716776

CN(CCOc1ccc(CN2CC(=O)SC2=O)cc1)c1ncc(-c2ccccc2)o1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARG P37231 15/20 0.40
CXCR1 P25024 1/20 0.38
SIGMAR1 Q99720 3/20 0.37
PPARA Q07869 2/20 0.36

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
SCHEMBL8716779 0.78 ATP4A (0.43)
SCHEMBL4443997 0.78 PPARG (0.55) PPARGPPARA
SCHEMBL1847381 0.76 PPARG (0.42) PPARGSIGMAR1PPARA
SCHEMBL12521876 0.75 PPARG (0.59) PPARG
SCHEMBL1848909 0.75 PPARG (0.59) PPARG
SCHEMBL6802579 0.75 SIGMAR1 (0.42) PPARGCXCR1SIGMAR1PPARA
SCHEMBL1847378 0.74 PPARG (0.64) PPARGPPARA
SCHEMBL1848911 0.73 PPARG (0.47) PPARG
SCHEMBL8650157 0.72 FFAR1 (0.58) PPARGPPARA
SCHEMBL8719493 0.68 ALDH1A1 (0.46) SIGMAR1

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-5756525-A USING A THIAZOLIDINEDIONE COMPOUND BEECHAM GROUP PLC (GB) 1998-05-26 US claimed
US-5756525-A USING A THIAZOLIDINEDIONE COMPOUND BEECHAM GROUP PLC (GB) 1998-05-26 US disclosed