SCHEMBL9533583

SCHEMBL9533583

CC1(COc2ccc([N+](=O)[O-])cc2)C=Cc2ccccc2O1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR3 O15455 2/20 0.43
PTGS2 P35354 2/20 0.42
CTDSP1 Q9GZU7 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
LMNA P02545 1/20 0.39
TLR9 Q9NR96 1/20 0.39
TLR8 Q9NR97 1/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 1/20 0.39
HIF1A Q16665 2/20 0.39
EPAS1 Q99814 2/20 0.39
KCNH2 Q12809 2/20 0.38
PKM P14618 1/20 0.38
KMT2A Q03164 1/20 0.37

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
SCHEMBL9531520 0.84 HIF1A (0.46) TLR3PTGS2CTDSP1L3MBTL1DRD2
SCHEMBL9534866 0.77 PTGS2 (0.39) TLR3PTGS2CTDSP1L3MBTL1LMNA
SCHEMBL9531441 0.76 PTGS2 (0.42) PTGS2CTDSP1L3MBTL1LMNAALDH1A1
SCHEMBL9632320 0.74 TLR3 (0.41) TLR3PTGS2CTDSP1L3MBTL1LMNA
SCHEMBL9632014 0.74 TLR3 (0.45) TLR3PTGS2LMNATLR9TLR8
SCHEMBL6987818 0.73 TLR3 (0.46) TLR3PTGS2TLR9TLR8ALDH1A1
SCHEMBL8340736 0.72 PTGS2 (0.39) PTGS2CTDSP1L3MBTL1ALDH1A1MAPT
SCHEMBL9531990 0.71 ALDH1A1 (0.52) PTGS2CTDSP1L3MBTL1DRD2DRD4
SCHEMBL9531634 0.70 TLR3 (0.47) TLR3PTGS2DRD2DRD4DRD3
SCHEMBL2558890 0.69 PTGS1 (0.46) PTGS2LMNAMAPTHIF1AEPAS1

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-0277836-B1 THIAZOLIDINONE DERIVATIVES, THEIR PREPARATION AND THEIR USE Sankyo Company Limited (JP) 1993-06-02 EP disclosed
US-4873255-A REDUCE BLOOD GLUCOSE AND BLOOD LIPID LEVELS SANKYO COMPANY LIMITED (JP) 1989-10-10 US disclosed
EP-0277836-A1 Thiazolidinone derivatives, their preparation and their use Sankyo Company Limited (JP) 1988-08-10 EP disclosed