SCHEMBL8196247

SCHEMBL8196247

Cc1cccc(CCOc2ccc(CC3NC(=O)SC3=O)cc2)n1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.42
CYP3A4 P08684 1/20 0.41
RXRA P19793 1/20 0.41
HPGD P15428 1/20 0.38
MMP12 P39900 1/20 0.36
HRH3 Q9Y5N1 2/20 0.36
ITGB3 P05106 3/20 0.35
ITGAV P06756 3/20 0.35
ITGB1 P05556 2/20 0.35
ITGA5 P08648 2/20 0.35
FFAR1 O14842 2/20 0.35
PPARA Q07869 1/20 0.35
KCNH2 Q12809 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL1220487 0.89 PPARG (0.47) PPARGCYP3A4RXRAHPGDHRH3
SCHEMBL8791594 0.87 PPARG (0.41) PPARGCYP3A4RXRAHPGDHRH3
SCHEMBL7839019 0.87 PPARG (0.42) PPARGCYP3A4RXRAHPGDHRH3
SCHEMBL8791799 0.84 HPGD (0.54) PPARGCYP3A4RXRAHPGDHRH3
SCHEMBL8792213 0.83 PPARG (0.52) PPARGCYP3A4RXRAHPGDHRH3
SCHEMBL9311838 0.82 FFAR1 (0.43) PPARGCYP3A4RXRAFFAR1
SCHEMBL8793769 0.82 PPARG (0.41) PPARGCYP3A4RXRAHPGDHRH3
SCHEMBL8196242 0.80 PPARG (0.66) PPARGCYP3A4RXRAHPGDFFAR1
SCHEMBL163917 0.80 PPARG (0.66) PPARGCYP3A4RXRAHPGDHRH3
Hydrochloric Acid SCHEMBL2944707 0.80 PPARG (0.66) PPARGCYP3A4RXRAHPGDHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0508740-B1 Thiazolidinedione derivatives, their production and their use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-10-01 EP claimed
US-5183823-A PYRIDINE N-OXIDE COMPOUNDS WHICH ARE USEFUL AS HYPOGLYCEMIC AND HYPOLIPIDEMIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-02-02 US claimed
EP-0508740-A1 Thiazolidinedione derivatives, their production and their use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-10-14 EP claimed
US-RE36575-E Pyridine and thiazolidinedione derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-02-15 US disclosed
EP-0508740-B1 Thiazolidinedione derivatives, their production and their use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-10-01 EP disclosed
US-5183823-A PYRIDINE N-OXIDE COMPOUNDS WHICH ARE USEFUL AS HYPOGLYCEMIC AND HYPOLIPIDEMIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-02-02 US disclosed
EP-0508740-A1 Thiazolidinedione derivatives, their production and their use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-10-14 EP disclosed
EP-0257781-B1 A METHOD FOR PRODUCING THIAZOLIDINEDIONE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 1991-09-18 EP disclosed
US-4898947-A Pyridine and thiazolidinedione derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-02-06 US disclosed
US-4812570-A Method for producing thiazolidinedione derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-03-14 US disclosed