SCHEMBL9533475

SCHEMBL9533475

CC(=O)c1cc2c(c(C)c1O)OC(C)(COc1ccc([N+](=O)[O-])cc1)CC2=O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
MAPT P10636 5/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KMT2A Q03164 7/20 0.38
MEN1 O00255 3/20 0.38
MAOB P27338 1/20 0.38
AKT1 P31749 1/20 0.37
KDM4E B2RXH2 2/20 0.37
PKM P14618 1/20 0.37
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
POLB P06746 2/20 0.34

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
SCHEMBL9532944 0.88 ALDH1A1 (0.40) ALDH1A1MAPTNPC1RAB9AKMT2A
SCHEMBL9534457 0.82 MAPT (0.45) ALDH1A1MAPTNPC1RAB9AKMT2A
SCHEMBL9531843 0.81 PPARG (0.37) ALDH1A1MAPTKMT2AMEN1MAOB
SCHEMBL9530770 0.80 MAPT (0.42) ALDH1A1MAPTNPC1RAB9AKMT2A
SCHEMBL8021379 0.80 CYP3A4 (0.49) ALDH1A1MAPTKMT2AMEN1MAOB
SCHEMBL8650153 0.79 ALDH1A1 (0.37) ALDH1A1MAPTKMT2AMEN1MAOB
SCHEMBL8980424 0.79 KMT2A (0.44) ALDH1A1MAPTNPC1RAB9AKMT2A
SCHEMBL9531639 0.76 KMT2A (0.42) ALDH1A1MAPTNPC1RAB9AKMT2A
SCHEMBL8177483 0.75 KMT2A (0.39) ALDH1A1MAPTNPC1RAB9AKMT2A
SCHEMBL9533182 0.74 ALDH1A1 (0.47) ALDH1A1MAPTNPC1RAB9AKMT2A

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