SCHEMBL6961189

SCHEMBL6961189

COC(=O)/C=C/c1ccc(OCc2nc(-c3ccco3)oc2C)c(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 3/20 0.53
PPARG P37231 1/20 0.53
KDM4E B2RXH2 8/20 0.47
ALDH1A1 P00352 6/20 0.47
HPGD P15428 5/20 0.47
MAPT P10636 3/20 0.47
LMNA P02545 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
TSHR P16473 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HSD17B10 Q99714 2/20 0.47
ALOX15 P16050 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HTT P42858 2/20 0.47
POLB P06746 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
EPHX2 P34913 1/20 0.43

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
SCHEMBL6961196 1.00 FDPS (0.53) FDPSPPARGKDM4EALDH1A1HPGD
SCHEMBL6584580 0.93 FDPS (0.57) FDPSPPARGKDM4EALDH1A1HPGD
SCHEMBL6583683 0.93 FDPS (0.57) FDPSPPARGKDM4EALDH1A1HPGD
SCHEMBL6160140 0.87 PPARG (0.57) FDPSPPARGKDM4EALDH1A1HPGD
SCHEMBL6966486 0.86 PPARG (0.53) PPARGKDM4EALDH1A1HPGDMAPT
SCHEMBL8340592 0.86 PPARG (0.53) PPARGKDM4EALDH1A1HPGDMAPT
SCHEMBL6584922 0.86 PPARG (0.55) PPARGKDM4EALDH1A1HPGDMAPT
SCHEMBL8335514 0.86 PPARG (0.55) PPARGKDM4EALDH1A1HPGDMAPT
SCHEMBL4848084 0.83 PPARG (0.53) FDPSPPARGKDM4EALDH1A1HPGD
SCHEMBL6584122 0.82 MAPT (0.52) FDPSPPARGKDM4EALDH1A1HPGD

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