SCHEMBL8963432

SCHEMBL8963432

O=C(O)c1cc(O)c2c(c1Cl)C(=O)c1cccc(O)c1C2=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
MAPT P10636 4/20 0.57
TSHR P16473 3/20 0.57
TDP1 Q9NUW8 3/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
KDM4E B2RXH2 3/20 0.57
RECQL P46063 3/20 0.57
FTO Q9C0B1 2/20 0.57
LMNA P02545 2/20 0.57
HPGD P15428 2/20 0.57
ALOX15 P16050 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
HSD17B10 Q99714 2/20 0.57
TTR P02766 2/20 0.57
CYP3A4 P08684 2/20 0.57
POLB P06746 2/20 0.57
BCHE P06276 1/20 0.57
HSP90AA1 P07900 1/20 0.57
HSP90AB1 P08238 1/20 0.57

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
SCHEMBL8996324 0.85 FTO (0.68) ALDH1A1MAPTTSHRTDP1MEN1
SCHEMBL2148493 0.78 ALDH1A1 (0.51) ALDH1A1MAPTTSHRTDP1MEN1
SCHEMBL23723959 0.77 FTO (0.73) ALDH1A1MAPTTSHRTDP1MEN1
SCHEMBL30695844 0.76 MAOA (0.86) ALDH1A1MAPTTSHRTDP1MEN1
SCHEMBL3198327 0.76 MAOA (0.86) ALDH1A1MAPTTSHRTDP1MEN1
SCHEMBL16224286 0.75 MAPT (0.68) ALDH1A1MAPTTSHRTDP1MEN1
SCHEMBL430100 0.74 TTR (0.91) ALDH1A1MAPTTSHRTDP1MEN1
Anthrarufin SCHEMBL29874705 0.74 MAOA (1.00) ALDH1A1MAPTTSHRTDP1MEN1
Anthrarufin SCHEMBL29363946 0.74 MAOA (1.00) ALDH1A1MAPTTSHRTDP1MEN1
Anthrarufin SCHEMBL187843 0.74 MAOA (1.00) ALDH1A1MAPTTSHRTDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0588797-B1 N- 4,5-DIHYDROXY- AND 4,5,8-TRIHYDROXY-9,10-DIHYDRO-9,10-DIOXO-2-ANTHRACENE-YL]CARBONYL]AMINO ACIDS USEFUL IN THE THERAPY OF OSTEOARTICULAR AFFECTIONS GENTILI IST SPA (IT) 1996-02-21 EP disclosed
US-5451606-A Anthraquinone compounds useful to treat osteoarticular conditions, pharmaceutical compositions and method of treatment ISTITUTO GENTILI S.P.A. (IT) 1995-09-19 US disclosed