SCHEMBL8996324

SCHEMBL8996324

O=C(O)c1cc(O)c2c(c1O)C(=O)c1cccc(O)c1C2=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 2/20 0.68
ALDH1A1 P00352 6/20 0.60
MAPT P10636 6/20 0.60
TDP1 Q9NUW8 4/20 0.60
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
KDM4E B2RXH2 4/20 0.60
RECQL P46063 4/20 0.60
TSHR P16473 3/20 0.60
HPGD P15428 3/20 0.60
ALOX15 P16050 3/20 0.60
HSD17B10 Q99714 3/20 0.60
TTR P02766 3/20 0.60
CYP3A4 P08684 3/20 0.60
LMNA P02545 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
ALOX12 P18054 2/20 0.60
POLB P06746 2/20 0.60
BCHE P06276 1/20 0.60
HSP90AA1 P07900 1/20 0.60

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
SCHEMBL8996447 0.87 MAPT (0.66) FTOALDH1A1MAPTTDP1MEN1
SCHEMBL8996538 0.85 FTO (0.50) FTOALDH1A1MAPTTDP1MEN1
SCHEMBL8963432 0.85 ALDH1A1 (0.57) FTOALDH1A1MAPTTDP1MEN1
SCHEMBL10905900 0.82 ALDH1A1 (0.63) FTOALDH1A1MAPTTDP1MEN1
SCHEMBL29360524 0.82 ALDH1A1 (0.63) FTOALDH1A1MAPTTDP1MEN1
SCHEMBL10587187 0.80 MAOA (0.83) FTOALDH1A1MAPTTDP1MEN1
SCHEMBL2148493 0.80 ALDH1A1 (0.51) FTOALDH1A1MAPTTDP1MEN1
SCHEMBL23723959 0.79 FTO (0.73) FTOALDH1A1MAPTTDP1MEN1
Islandicin SCHEMBL9172900 0.78 MAPT (0.68) FTOALDH1A1MAPTTDP1MEN1
Islandicin SCHEMBL29356802 0.78 MAPT (0.68) FTOALDH1A1MAPTTDP1MEN1

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-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
CN-1079732-A Medical compounds LILLY INDUSTRIES LTD (GB) 1993-12-22 CN disclosed
EP-0570091-A1 Anthraquinone derivatives, process for their preparation and their use as medicaments LILLY INDUSTRIES LIMITED (GB) 1993-11-18 EP disclosed