SCHEMBL8063601

SCHEMBL8063601

COc1ccc(CCC(=O)C2c3cccc(O)c3C(=O)c3c(O)cccc32)cc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
SLC5A1 P13866 1/20 0.46
SLC5A2 P31639 1/20 0.46
F2RL1 P55085 1/20 0.46
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
FFAR1 O14842 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 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
SCHEMBL8077882 0.88 HTT (0.42) NPC1RAB9AALDH1A1
SCHEMBL8076275 0.86 CYP19A1 (0.46) NFKB1NFKB2RELASLC5A1SLC5A2
SCHEMBL8076285 0.86 ALOX5 (0.45)
SCHEMBL8073087 0.84 KEAP1 (0.42) SLC5A1SLC5A2ALDH1A1FFAR1
SCHEMBL8062854 0.84 FFAR1 (0.54) POLBFFAR1
SCHEMBL8076730 0.83 LMNA (0.44)
Butantrone SCHEMBL2109872 0.77 CES2 (0.43) ALDH1A1
SCHEMBL8076262 0.77 ACHE (0.46) NPC1RAB9A
SCHEMBL8073633 0.76 HTR2C (0.39) NFKB1NFKB2RELAALDH1A1HTR2C
SCHEMBL8063137 0.76 ACHE (0.51)

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 11 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
WO-1995003266-A1 10-SUBSTITUTED 1,8-DIHYDROXY-9(10H) ANTHRACENONE PHARMACEUTICALS TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1995-02-02 WO 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