SCHEMBL8559808

SCHEMBL8559808

O=C1c2c(O)cccc2C(Br)c2cccc(O)c21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
MAPT P10636 2/20 0.52
ALOX15 P16050 2/20 0.52
TSHR P16473 2/20 0.52
HSD17B10 Q99714 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
MAOA P21397 2/20 0.52
LMNA P02545 1/20 0.52
HPGD P15428 1/20 0.52
MAOB P27338 1/20 0.52
MAPK1 P28482 1/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MEN1 O00255 1/20 0.48
USP2 O75604 1/20 0.48
HPN P05981 1/20 0.48
CYP3A4 P08684 1/20 0.48
ALOX5 P09917 1/20 0.48
THRB P10828 1/20 0.48
PTGS1 P23219 1/20 0.48

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
SCHEMBL14113261 0.83 MAOA (0.56) ALDH1A1MAPTALOX15TSHRHSD17B10
SCHEMBL10490934 0.81 ALDH1A1 (0.55) ALDH1A1MAPTALOX15TSHRHSD17B10
SCHEMBL10630399 0.75 ALDH1A1 (0.47) ALDH1A1MAPTALOX15TSHRHSD17B10
SCHEMBL10490982 0.75 ALDH1A1 (0.47) ALDH1A1MAPTALOX15TSHRHSD17B10
SCHEMBL9421974 0.75 ALDH1A1 (0.47) ALDH1A1MAPTALOX15TSHRHSD17B10
SCHEMBL9628552 0.73 ALDH1A1 (0.46) ALDH1A1MAPTALOX15TSHRHSD17B10
SCHEMBL10490976 0.72 MEN1 (0.54) ALDH1A1MAPTALOX15TSHRHSD17B10
SCHEMBL10631861 0.72 ALDH1A1 (0.44) ALDH1A1MAPTALOX15TSHRHSD17B10
Danthron SCHEMBL20565674 0.71 MAPT (0.95) ALDH1A1MAPTALOX15TSHRHSD17B10
SCHEMBL10490945 0.71 ALDH1A1 (0.43) ALDH1A1MAPTALOX15TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1496975-A Emodin derivative with anti-tumour activity 上海恒达科技发展股份有限公司 2004-05-19 CN disclosed
US-5705533-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 1998-01-06 US disclosed
EP-0314405-B1 NEW COMPOUNDS OF THE ANTHRAQUINONE SERIES THE VICTORIA UNIVERSITY OF MANCHESTER (GB) 1992-03-18 EP disclosed
US-4997961-A Compounds of the anthraquinone series THE VICTORIA UNIVERSITY OF MANCHESTER (GB) 1991-03-05 US disclosed
EP-0386050-A1 NEW COMPOUNDS OF THE ANTHRAQUINONE SERIES THE VICTORIA UNIVERSITY OF MANCHESTER (GB) 1990-09-12 EP disclosed
US-4927845-A Compounds of the anthraquinone series THE VICTORIA UNIVERSITY OF MANCHESTER (GB) 1990-05-22 US disclosed
WO-1989003822-A1 NEW COMPOUNDS OF THE ANTHRAQUINONE SERIES THE VICTORIA UNIVERSITY OF MANCHESTER (GB) 1989-05-05 WO disclosed
EP-0314405-A1 New compounds of the anthraquinone series THE VICTORIA UNIVERSITY OF MANCHESTER (GB) 1989-05-03 EP disclosed