SCHEMBL9533679

SCHEMBL9533679

CC(=O)Oc1ccc2c(c1C)OC(C)(COc1ccc([N+](=O)[O-])cc1)C=C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.39
KMT2A Q03164 2/20 0.38
MAPT P10636 3/20 0.37
MAOB P27338 2/20 0.37
TLR3 O15455 1/20 0.37
PTGS2 P35354 2/20 0.36
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
BCL9 O00512 1/20 0.35
CTNNB1 P35222 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CCR5 P51681 1/20 0.35
PDCD1 Q15116 1/20 0.35
ACE2 Q9BYF1 1/20 0.35
CD274 Q9NZQ7 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
SCHEMBL8490863 0.81 KMT2A (0.39) KCNH2KMT2AMAPTMAOBPTGS2
SCHEMBL9632014 0.77 TLR3 (0.45) KCNH2KMT2AMAPTMAOBTLR3
SCHEMBL9531441 0.77 PTGS2 (0.42) KCNH2KMT2AMAPTPTGS2ALDH1A1
SCHEMBL9531581 0.76 TLR3 (0.41) KCNH2KMT2AMAPTMAOBTLR3
SCHEMBL8340736 0.75 PTGS2 (0.39) KCNH2KMT2AMAPTMAOBPTGS2
SCHEMBL9530770 0.75 MAPT (0.42) KMT2AMAPTMAOBALDH1A1POLB
SCHEMBL9631366 0.75 TLR3 (0.42) KCNH2KMT2AMAPTMAOBTLR3
SCHEMBL9533583 0.72 TLR3 (0.43) KCNH2KMT2AMAPTTLR3PTGS2
SCHEMBL9531520 0.71 HIF1A (0.46) KMT2AMAPTTLR3PTGS2ALDH1A1
SCHEMBL7536176 0.69 TTPA (0.51) KMT2AMAPT

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 2 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