SCHEMBL9530858

SCHEMBL9530858

CC1(COc2ccc([N+](=O)[O-])cc2)CC(=O)c2cc(F)ccc2O1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 2/20 0.48
MAPT P10636 2/20 0.48
MAOB P27338 2/20 0.41
KDM4E B2RXH2 7/20 0.41
GAA P10253 6/20 0.41
HPGD P15428 3/20 0.41
GLA P06280 3/20 0.41
CASP1 P29466 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CASP7 P55210 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HSPB1 P04792 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.38
AKT1 P31749 1/20 0.38
KLK7 P49862 1/20 0.37
CA1 P00915 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
SCHEMBL9531822 0.86 MAOB (0.43) ALDH1A1NPC1RAB9AMAPTMAOB
SCHEMBL9533182 0.85 ALDH1A1 (0.47) ALDH1A1NPC1RAB9AMAPTMAOB
SCHEMBL9531990 0.84 ALDH1A1 (0.52) ALDH1A1NPC1RAB9AMAPTMAOB
SCHEMBL9533339 0.83 ALDH1A1 (0.45) ALDH1A1NPC1RAB9AMAPTMAOB
SCHEMBL9531752 0.81 MAPT (0.48) ALDH1A1NPC1RAB9AMAPTMAOB
SCHEMBL9631291 0.80 ALDH1A1 (0.48) ALDH1A1NPC1RAB9AMAPTMAOB
SCHEMBL9532298 0.79 ALDH1A1 (0.45) ALDH1A1NPC1RAB9AMAPTKDM4E
SCHEMBL9632290 0.77 ALDH1A1 (0.44) ALDH1A1NPC1RAB9AMAPTKDM4E
SCHEMBL9533164 0.77 TLR3 (0.48) ALDH1A1NPC1RAB9AMAPTKDM4E
SCHEMBL9533103 0.77 KMT2A (0.47) ALDH1A1NPC1RAB9AMAPTMAOB

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