SCHEMBL6966280

SCHEMBL6966280

Cc1oc(-c2ccccc2)nc1COc1ccc(CCCC2SC(=O)NC2=O)cc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARG P37231 16/20 0.45
FFAR1 O14842 1/20 0.43
KDR P35968 1/20 0.41
PPARA Q07869 13/20 0.41
PPARD Q03181 6/20 0.38
S1PR1 P21453 1/20 0.38

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
SCHEMBL4727296 0.91 PPARG (0.47) PPARGFFAR1KDRPPARAPPARD
SCHEMBL4727180 0.88 PPARG (0.57) PPARGFFAR1KDRPPARA
SCHEMBL6971740 0.86 FFAR1 (0.54) PPARGFFAR1KDRPPARA
SCHEMBL8341311 0.85 PPARG (0.42) PPARGFFAR1KDRPPARAPPARD
SCHEMBL5080602 0.84 FFAR1 (0.61) PPARGFFAR1KDRPPARAPPARD
SCHEMBL6973891 0.84 KDR (0.60) PPARGFFAR1KDRPPARA
SCHEMBL6969705 0.83 FFAR1 (0.45) PPARGFFAR1KDRPPARAPPARD
SCHEMBL6052222 0.82 PPARG (0.50) PPARGFFAR1PPARA
SCHEMBL8801421 0.82 PPARG (0.50) PPARGPPARAPPARD
SCHEMBL6966826 0.81 PPARG (0.50) PPARGFFAR1PPARA

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-0783496-B9 THIAZOLIDINEDIONE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-09-03 EP disclosed
EP-0783496-B1 THIAZOLIDINEDIONE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-03-26 EP disclosed
US-5965589-A AN ACTIVE MATERIAL HAVING HYPOGLYCEMIC ACTIVITY AND BLOOD LIPID LOWERING ACTIVITY, FOR USE AS AN ANTIDIABETIC AGENT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-12 US disclosed