SCHEMBL8996423

SCHEMBL8996423

CC(=O)Oc1ccc(OC(C)=O)c2c1C(=O)c1c(OC(C)=O)cc(C(=O)O)c(OC(C)=O)c1C2=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 2/20 0.51
MAPK1 P28482 2/20 0.50
KDM4E B2RXH2 8/20 0.49
ALDH1A1 P00352 6/20 0.49
HPGD P15428 4/20 0.49
ADORA3 P0DMS8 3/20 0.49
MAPT P10636 2/20 0.49
KMT2A Q03164 2/20 0.49
USP2 O75604 2/20 0.49
TTR P02766 2/20 0.49
LMNA P02545 2/20 0.49
ADORA2A P29274 2/20 0.49
ADORA1 P30542 2/20 0.49
MEN1 O00255 1/20 0.49
ABCC4 O15439 1/20 0.49
TP53 P04637 1/20 0.49
HSP90AA1 P07900 1/20 0.49
CHRM2 P08172 1/20 0.49
HSP90AB1 P08238 1/20 0.49
HTR1A P08908 1/20 0.49

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
SCHEMBL8996409 0.88 KDM4E (0.64) CFDMAPK1KDM4EALDH1A1HPGD
SCHEMBL8996376 0.87 TTR (0.51) CFDMAPK1KDM4EALDH1A1HPGD
SCHEMBL31195949 0.75 MAPK1 (0.56) CFDMAPK1KDM4EALDH1A1HPGD
SCHEMBL8996393 0.75 MAPT (0.50) MAPK1KDM4EALDH1A1HPGDMAPT
SCHEMBL10799677 0.74 ELANE (0.45) CFDMAPK1KDM4EALDH1A1HPGD
SCHEMBL9040623 0.73 KDM4E (0.62) CFDMAPK1KDM4EALDH1A1HPGD
SCHEMBL8996444 0.72 TTR (0.47) MAPK1KDM4EALDH1A1HPGDADORA3
SCHEMBL642776 0.72 MAPK1 (0.71) CFDMAPK1KDM4EALDH1A1HPGD
SCHEMBL2148493 0.72 ALDH1A1 (0.51) MAPK1KDM4EALDH1A1HPGDADORA3
SCHEMBL9319268 0.70 ADORA3 (0.67) CFDMAPK1KDM4EALDH1A1HPGD

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-0570091-A1 Anthraquinone derivatives, process for their preparation and their use as medicaments LILLY INDUSTRIES LIMITED (GB) 1993-11-18 EP claimed
US-5480873-A ARTHRITIS LILLY INDUSTRIES LIMITED (GB) 1996-01-02 US disclosed
EP-0570091-A1 Anthraquinone derivatives, process for their preparation and their use as medicaments LILLY INDUSTRIES LIMITED (GB) 1993-11-18 EP disclosed