SCHEMBL9531990

SCHEMBL9531990

CC1(COc2ccc([N+](=O)[O-])cc2)CC(=O)c2ccccc2O1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
MAPT P10636 3/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
MAOB P27338 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PKM P14618 1/20 0.39
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
PTGS2 P35354 1/20 0.38
LMNA P02545 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SCN2A Q99250 1/20 0.37
KCNH2 Q12809 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 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
SCHEMBL9530858 0.84 ALDH1A1 (0.48) ALDH1A1MAPTNPC1RAB9AMAOB
SCHEMBL9532214 0.84 MAOB (0.43) ALDH1A1NPC1RAB9AMAOBKDM4E
SCHEMBL9533182 0.83 ALDH1A1 (0.47) ALDH1A1MAPTNPC1RAB9AMAOB
SCHEMBL9533339 0.80 ALDH1A1 (0.45) ALDH1A1MAPTNPC1RAB9AMAOB
SCHEMBL9531752 0.80 MAPT (0.48) ALDH1A1MAPTNPC1RAB9AMAOB
SCHEMBL9631291 0.79 ALDH1A1 (0.48) ALDH1A1MAPTNPC1RAB9AMAOB
SCHEMBL9533103 0.78 KMT2A (0.47) ALDH1A1MAPTNPC1RAB9AMAOB
SCHEMBL9534457 0.77 MAPT (0.45) ALDH1A1MAPTNPC1RAB9AMAOB
SCHEMBL25082424 0.77 ATM (0.44) ALDH1A1MAPTNPC1RAB9AMAOB
SCHEMBL6601579 0.77 ALDH1A1 (0.44) ALDH1A1MAPTNPC1RAB9AMEN1

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