SCHEMBL9212901

SCHEMBL9212901

[CH2]COC(=O)c1cc[nH]c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.40
GSK3A P49840 3/20 0.34
RPS6KA3 P51812 3/20 0.34
MAPK14 Q16539 3/20 0.34
CAPN1 P07384 1/20 0.34
KMT2A Q03164 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPK1 P28482 1/20 0.32
HIF1A Q16665 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A3 Q01959 1/20 0.32
MEN1 O00255 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
ESR1 P03372 1/20 0.32

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
SCHEMBL671053 0.81 CA12 (0.53) KMT2AALDH1A1GAARAB9ASMN1; SMN2
SCHEMBL7850871 0.80 CYP3A4 (0.51) SIRT2KMT2AALDH1A1GAARAB9A
Hydrochloric Acid SCHEMBL27813064 0.79 CA12 (0.52) KMT2AALDH1A1GAARAB9ASMN1; SMN2
SCHEMBL9495909 0.78 LMNA (0.58) KMT2ATDP1ALDH1A1GAARAB9A
SCHEMBL30601805 0.77 SIRT2 (0.45) SIRT2GSK3ARPS6KA3MAPK14CAPN1
Hydrochloric Acid SCHEMBL2863872 0.77 SERPINE1 (0.38) SIRT2GSK3ARPS6KA3MAPK14CAPN1
SCHEMBL5501097 0.75 KMT2A (0.66) KMT2ATDP1ALDH1A1GAARAB9A
SCHEMBL9496726 0.75 ESR1 (0.58) KMT2ATDP1ALDH1A1GAARAB9A
SCHEMBL14405077 0.74
SCHEMBL828034 0.74

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0508549-B1 New triazolopyrimidine and pyrazolopyrimidine derivatives useful for treating cachexia SANKYO CO (JP) 1995-04-26 EP disclosed
EP-0347252-B1 METHOD OF TREATING CACHEXIA AND CERTAIN NEW COMPOUNDS FOR USE IN THIS METHOD SANKYO COMPANY LIMITED (JP) 1993-05-05 EP disclosed
EP-0508549-A2 New triazolopyrimidine and pyrazolopyrimidine derivatives useful for treating cachexia SANKYO COMPANY LIMITED (JP) 1992-10-14 EP disclosed
US-5086057-A METHOD OF TREATING CACHEXIA AND CERTAIN NEW COMPOUNDS FOR USE IN THIS METHOD SANKYO COMPANY LIMITED (JP) 1992-02-04 US disclosed
US-5055479-A For enhancing activity of lipoprotein lipase enzymes SANKYO COMPANY, LIMITED (JP) 1991-10-08 US disclosed
EP-0347252-A2 Method of treating cachexia and certain new compounds for use in this method SANKYO COMPANY LIMITED (JP) 1989-12-20 EP disclosed