SCHEMBL6968517

SCHEMBL6968517

CCOC(=O)C=Cc1cccc(OCc2nc(-c3ccccc3)oc2C)c1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.60
FFAR1 O14842 1/20 0.53
PPARG P37231 9/20 0.52
PPARA Q07869 9/20 0.52
MAPT P10636 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TP53 P04637 1/20 0.48
CYP2C9 P11712 1/20 0.47
KCNH2 Q12809 1/20 0.47

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
SCHEMBL6968514 1.00 KDR (0.60) KDRFFAR1PPARGPPARAMAPT
SCHEMBL7160754 0.90 KDR (0.65) KDRFFAR1PPARGPPARAMAPT
SCHEMBL7160752 0.90 KDR (0.65) KDRFFAR1PPARGPPARAMAPT
SCHEMBL8591117 0.89 PPARG (0.54) KDRPPARGPPARAMAPTTP53
SCHEMBL8591115 0.89 PPARG (0.54) KDRPPARGPPARAMAPTTP53
SCHEMBL6966725 0.89 FFAR1 (0.61) KDRFFAR1PPARGPPARAMAPT
SCHEMBL6966729 0.89 FFAR1 (0.61) KDRFFAR1PPARGPPARAMAPT
SCHEMBL8550061 0.83 KDR (0.55) KDRFFAR1PPARGPPARAMAPT
SCHEMBL8550063 0.83 KDR (0.55) KDRFFAR1PPARGPPARAMAPT
SCHEMBL6157414 0.83 KDR (0.67) 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 8 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-0629624-B1 Tetrazole derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-04-23 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
US-5591862-A ANTILIPEMICS, TREATING DIABETES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-01-07 US disclosed
WO-1996005186-A1 THIAZOLIDINEDIONE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-02-22 WO disclosed
EP-0629624-A1 Tetrazole derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-12-21 EP disclosed