SCHEMBL6972047

SCHEMBL6972047

Cc1oc(-c2ccccc2)nc1COc1ccc(C=CCO)cc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.49
FFAR1 O14842 1/20 0.43
PPARG P37231 8/20 0.41
PPARA Q07869 8/20 0.41
PPARD Q03181 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 2/20 0.40
PTPN1 P18031 1/20 0.39
TP53 P04637 2/20 0.39
POLB P06746 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
SCHEMBL8340640 1.00 KDR (0.49) KDRFFAR1PPARGPPARAPPARD
SCHEMBL8337351 0.86 KDR (0.45) KDRFFAR1PPARGPPARAPPARD
SCHEMBL8337350 0.86 KDR (0.45) KDRFFAR1PPARGPPARAPPARD
SCHEMBL8340506 0.85 MAPT (0.46) KDRFFAR1PPARGPPARAPPARD
SCHEMBL8340510 0.85 MAPT (0.46) KDRFFAR1PPARGPPARAPPARD
SCHEMBL6583987 0.85 KDR (0.52) KDRFFAR1PPARGPPARAPPARD
SCHEMBL6583992 0.85 KDR (0.52) KDRFFAR1PPARGPPARAPPARD
SCHEMBL6963274 0.80 FFAR1 (0.61) KDRFFAR1PPARGPPARAKDM4E
SCHEMBL6963271 0.80 FFAR1 (0.61) KDRFFAR1PPARGPPARAKDM4E
SCHEMBL6965135 0.80 KDR (0.69) KDRFFAR1PPARGPPARAMAPT

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