SCHEMBL9532298

SCHEMBL9532298

CC(=O)Oc1cc2c(cc1Cl)OC(C)(COc1ccc([N+](=O)[O-])cc1)CC2=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
MAPT P10636 4/20 0.45
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
KDM4E B2RXH2 6/20 0.38
GAA P10253 5/20 0.38
HPGD P15428 2/20 0.38
CASP1 P29466 2/20 0.38
HSD17B10 Q99714 2/20 0.38
GLA P06280 2/20 0.38
CASP7 P55210 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
POLB P06746 2/20 0.38
RECQL P46063 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 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
SCHEMBL9533181 0.88 KDM4E (0.40) ALDH1A1NPC1KDM4EGAAHPGD
SCHEMBL9632290 0.88 ALDH1A1 (0.44) ALDH1A1MAPTRAB9ANPC1KDM4E
SCHEMBL9531752 0.86 MAPT (0.48) ALDH1A1MAPTRAB9ANPC1KDM4E
SCHEMBL9632121 0.85 ALDH1A1 (0.41) ALDH1A1MAPTRAB9ANPC1KDM4E
SCHEMBL9533182 0.81 ALDH1A1 (0.47) ALDH1A1MAPTRAB9ANPC1KDM4E
SCHEMBL9531337 0.81 KDM4E (0.40) ALDH1A1KDM4EGAAHPGDCASP1
SCHEMBL9530770 0.80 MAPT (0.42) ALDH1A1MAPTRAB9ANPC1KDM4E
SCHEMBL9530858 0.79 ALDH1A1 (0.48) ALDH1A1MAPTRAB9ANPC1KDM4E
SCHEMBL9533339 0.79 ALDH1A1 (0.45) ALDH1A1MAPTRAB9ANPC1KDM4E
SCHEMBL9631291 0.77 ALDH1A1 (0.48) ALDH1A1MAPTRAB9ANPC1KDM4E

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 4 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
EP-0251417-B1 4-(AROYLAMINO) PIPERIDINEBUTANAMIDE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1993-04-14 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