SCHEMBL8063137

SCHEMBL8063137

O=C1c2c(O)cccc2C(C(=O)CCCCc2ccccc2)c2cccc(O)c21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.51
SGMS1 Q86VZ5 2/20 0.51
SGMS2 Q8NHU3 2/20 0.51
MAPT P10636 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
BID P55957 1/20 0.44
BCL2L1 Q07817 1/20 0.44
MCL1 Q07820 1/20 0.44
BAK1 Q16611 1/20 0.44
CBS P35520 1/20 0.43
DPP4 P27487 1/20 0.43
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
ALOX5 P09917 1/20 0.41
HDAC3 O15379 1/20 0.41
MAPK1 P28482 1/20 0.41
ADRA1A P35348 1/20 0.41
HDAC4 P56524 1/20 0.41
SLC6A3 Q01959 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL8076262 0.96 ACHE (0.46) ACHESGMS1SGMS2BIDBCL2L1
SCHEMBL8073087 0.91 KEAP1 (0.42) ACHESGMS1SGMS2MAPT
SCHEMBL9185497 0.83 ACHE (0.42) ACHESGMS1SGMS2MAPTRXFP1
SCHEMBL8073615 0.82 ELANE (0.42) MAPTMAPK1SMN1; SMN2
SCHEMBL8076275 0.81 CYP19A1 (0.46) ACHESGMS1SGMS2MAPTALOX5
SCHEMBL11292310 0.81 CES2 (0.47) MAPT
SCHEMBL8062854 0.80 FFAR1 (0.54) ALOX5
Butantrone SCHEMBL2109872 0.77 CES2 (0.43) MAPTALOX5
SCHEMBL8063601 0.76 NFKB1 (0.50)
SCHEMBL10631861 0.75 ALDH1A1 (0.44) MAPTMAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0664780-B1 10-SUBSTITUTED 1,8-DIHYDROXY-9(10H) ANTHRACENONE PHARMACEUTICALS TEVA PHARMA (IL) 1999-12-08 EP claimed
EP-0664780-A1 10-SUBSTITUTED 1,8-DIHYDROXY-9(10H) ANTHRACENONE PHARMACEUTICALS TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 1995-08-02 EP claimed
US-6127426-A ANTIALLERGIC AND -INFLAMMATORY AGENTS E.G., TREATING PSORIASIS, BLOCKED ON THE C-10 BY A NONPHENOLIC ARYLACYL OR A PHENYLALKYLIDENE GROUP; LIPOXYGENASE INHIBITORS; ANTIPROLIFERATIVE AGENTS; LOW DOSAGE; SIDE EFFECT REDUCTION TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2000-10-03 US disclosed
EP-0664780-B1 10-SUBSTITUTED 1,8-DIHYDROXY-9(10H) ANTHRACENONE PHARMACEUTICALS TEVA PHARMA (IL) 1999-12-08 EP disclosed
US-5952390-A ANTIINFLAMMATORY AGENTS; TREATMENT FOR PSORIASIS TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 1999-09-14 US disclosed
US-5844004-A 10-substituted 1,8-dihydroxy-9 (10H) anthracenone pharmaceuticals TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1998-12-01 US disclosed
US-5661187-A ADMINISTERING TO TREAT AN ALLERGIC OR INFLAMMATORY CONDITION; SIDE EFFECT REDUCTION TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1997-08-26 US disclosed
EP-0664780-A1 10-SUBSTITUTED 1,8-DIHYDROXY-9(10H) ANTHRACENONE PHARMACEUTICALS TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 1995-08-02 EP disclosed
US-5426197-A Antiinflammatory, antiallergy or antitumor agents TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1995-06-20 US disclosed
WO-1995003266-A1 10-SUBSTITUTED 1,8-DIHYDROXY-9(10H) ANTHRACENONE PHARMACEUTICALS TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1995-02-02 WO disclosed