SCHEMBL9534866

SCHEMBL9534866

Cc1cc(C)c2c(c1)OC(C)(COc1ccc([N+](=O)[O-])cc1)C=C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
TLR3 O15455 1/20 0.38
MAPT P10636 6/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 4/20 0.37
LMNA P02545 2/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
HTT P42858 1/20 0.36
KCNH2 Q12809 1/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
GAA P10253 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL9531441 0.79 PTGS2 (0.42) PTGS2L3MBTL1CTDSP1MAPTALDH1A1
SCHEMBL9533583 0.77 TLR3 (0.43) PTGS2L3MBTL1CTDSP1TLR3MAPT
SCHEMBL9531520 0.76 HIF1A (0.46) PTGS2L3MBTL1CTDSP1TLR3MAPT
SCHEMBL8340736 0.76 PTGS2 (0.39) PTGS2L3MBTL1CTDSP1MAPTALDH1A1
SCHEMBL9533103 0.72 KMT2A (0.47) PTGS2L3MBTL1CTDSP1MAPTPOLB
SCHEMBL8490863 0.72 KMT2A (0.39) PTGS2L3MBTL1CTDSP1MAPTPOLB
SCHEMBL9632320 0.69 TLR3 (0.41) PTGS2L3MBTL1CTDSP1TLR3MAPT
SCHEMBL9632014 0.68 TLR3 (0.45) PTGS2TLR3MAPTPOLBALDH1A1
SCHEMBL7533888 0.68 KCNH2 (0.38) PTGS2L3MBTL1CTDSP1MAPTPOLB
SCHEMBL6987818 0.65 TLR3 (0.46) PTGS2TLR3MAPTALDH1A1HTT

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