SCHEMBL6970831

SCHEMBL6970831

COC(=O)C1=Cc2ccc(OCc3nc(-c4ccccc4)oc3C)cc2CC1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.56
PPARA Q07869 8/20 0.56
KDR P35968 1/20 0.54
MAPT P10636 4/20 0.53
FFAR1 O14842 1/20 0.52
TP53 P04637 1/20 0.49
POLB P06746 1/20 0.49

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
SCHEMBL8340189 0.85 KDR (0.60) PPARGPPARAKDRMAPTFFAR1
SCHEMBL8341031 0.82 PPARG (0.54) PPARGPPARAKDRMAPTFFAR1
SCHEMBL3278854 0.78 MAPT (0.68) PPARGPPARAKDRMAPTFFAR1
SCHEMBL8154817 0.77 FFAR1 (0.60) PPARGPPARAKDRMAPTFFAR1
SCHEMBL8138656 0.76 PPARG (0.63) PPARGPPARAKDRMAPTFFAR1
SCHEMBL6973022 0.75 PPARG (0.47) PPARGPPARAKDRMAPTFFAR1
SCHEMBL8337047 0.75 PPARG (0.47) PPARGPPARAKDRMAPTFFAR1
SCHEMBL3450590 0.74 PPARG (0.62) PPARGPPARAFFAR1
SCHEMBL6965883 0.74 PPARG (0.67) PPARGPPARA
SCHEMBL8336444 0.74 PPARG (0.46) PPARGPPARAKDRMAPTFFAR1

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 5 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
EP-0783496-A1 THIAZOLIDINEDIONE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1997-07-16 EP disclosed
WO-1996005186-A1 THIAZOLIDINEDIONE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-02-22 WO disclosed