SCHEMBL9531441

SCHEMBL9531441

Cc1c(C)c(C)c2c(c1C)C=CC(C)(COc1ccc([N+](=O)[O-])cc1)O2

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
MAPT P10636 4/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
KCNH2 Q12809 4/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.37
PKM P14618 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.36

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
SCHEMBL8340736 0.91 PTGS2 (0.39) PTGS2L3MBTL1CTDSP1MAPTCRHBP
SCHEMBL8490863 0.86 KMT2A (0.39) PTGS2L3MBTL1CTDSP1MAPTCRHBP
SCHEMBL9534866 0.79 PTGS2 (0.39) PTGS2L3MBTL1CTDSP1MAPTCRHBP
SCHEMBL9533583 0.76 TLR3 (0.43) PTGS2L3MBTL1CTDSP1MAPTKCNH2
SCHEMBL13592372 0.73
SCHEMBL9531520 0.72 HIF1A (0.46) PTGS2L3MBTL1CTDSP1MAPTKMT2A
SCHEMBL9531639 0.71 KMT2A (0.42) PTGS2L3MBTL1CTDSP1MAPTKCNH2
SCHEMBL10656850 0.68 MAPT (0.43) PTGS2MAPTALDH1A1LMNA
SCHEMBL2565915 0.67 PTGS2 (0.51) PTGS2L3MBTL1CTDSP1MAPTKCNH2
SCHEMBL11742757 0.64 PTGS2 (0.46) PTGS2L3MBTL1CTDSP1MAPTKMT2A

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