SCHEMBL9534457

SCHEMBL9534457

Cc1c(O)ccc2c1OC(C)(COc1ccc([N+](=O)[O-])cc1)CC2=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 4/20 0.42
MEN1 O00255 2/20 0.42
AKT1 P31749 1/20 0.39
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
MAOB P27338 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
PTGS2 P35354 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
L3MBTL1 Q9Y468 1/20 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
SCHEMBL9533035 0.86 ESR1 (0.40) MAPTNPC1RAB9AALDH1A1KMT2A
SCHEMBL9530770 0.85 MAPT (0.42) MAPTNPC1RAB9AALDH1A1KMT2A
SCHEMBL9533475 0.82 ALDH1A1 (0.41) MAPTNPC1RAB9AALDH1A1KMT2A
SCHEMBL8980424 0.81 KMT2A (0.44) MAPTNPC1RAB9AALDH1A1KMT2A
SCHEMBL9531639 0.81 KMT2A (0.42) MAPTNPC1RAB9AALDH1A1KMT2A
SCHEMBL9532944 0.78 ALDH1A1 (0.40) MAPTNPC1RAB9AALDH1A1KMT2A
SCHEMBL9531752 0.78 MAPT (0.48) MAPTNPC1RAB9AALDH1A1KMT2A
SCHEMBL9531921 0.77 AKT1 (0.36) MAPTALDH1A1KMT2AMEN1AKT1
SCHEMBL9531990 0.77 ALDH1A1 (0.52) MAPTNPC1RAB9AALDH1A1KMT2A
SCHEMBL9631291 0.77 ALDH1A1 (0.48) MAPTNPC1RAB9AALDH1A1KMT2A

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