SCHEMBL9008523

SCHEMBL9008523

CC(=O)Oc1ccc(OC(C)=O)c2c1C(=O)c1ccc(-c3nnn[nH]3)cc1C2=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.43
CFD P00746 2/20 0.36
GRK6 P43250 1/20 0.35
GAPDH P04406 1/20 0.35
SNCA P37840 1/20 0.35
PIM1 P11309 1/20 0.35
BACE1 P56817 1/20 0.35
AMY1A P0DUB6 2/20 0.34
ADORA3 P0DMS8 4/20 0.34
ADORA2A P29274 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ABCC4 O15439 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
HSP90AA1 P07900 1/20 0.34
CHRM2 P08172 1/20 0.34
HSP90AB1 P08238 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
SCHEMBL9008524 0.85 MAPT (0.46) ADORA2AKDM4EMEN1USP2ALDH1A1
SCHEMBL11625180 0.79 MAOB (0.35) MEN1ALDH1A1LMNATP53MAPT
SCHEMBL8996439 0.77 TTR (0.57) TTRPIM1ADORA3ADORA2AKDM4E
SCHEMBL11619908 0.76 PTPRC (0.35) MEN1LMNAMAPTHTTKMT2A
SCHEMBL9008510 0.72 TTR (0.53) TTRGAPDHPIM1BACE1ADORA3
SCHEMBL29227279 0.72 HSD17B10 (0.47) TTRGAPDHBACE1KDM4EMEN1
SCHEMBL30554756 0.70 ACHE (0.48) GAPDHBACE1ADORA2AMEN1ALDH1A1
SCHEMBL29227277 0.70 ACHE (0.48) GAPDHBACE1ADORA2AMEN1ALDH1A1
SCHEMBL29227280 0.70 PDE5A (0.50) KDM4EMEN1ALDH1A1LMNAHSP90AA1
SCHEMBL29551111 0.70 MAPT (0.60) TTRPIM1ADORA3ADORA2AKDM4E

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
US-5484935-A Pharmaceutical compounds LILLY INDUSTRIES LIMITED (GB) 1996-01-16 US claimed
EP-0638562-A1 Anthraquinone derivatives useful in the treatment of cancer and osteoartritis LILLY INDUSTRIES LIMITED (GB) 1995-02-15 EP claimed
US-5484935-A Pharmaceutical compounds LILLY INDUSTRIES LIMITED (GB) 1996-01-16 US disclosed
EP-0638562-A1 Anthraquinone derivatives useful in the treatment of cancer and osteoartritis LILLY INDUSTRIES LIMITED (GB) 1995-02-15 EP disclosed