SCHEMBL8073633

SCHEMBL8073633

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

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
P4HB P07237 2/20 0.39
ALDH1A1 P00352 1/20 0.38
CCNE2 O96020 1/20 0.38
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
CALM1 P0DP23 1/20 0.37

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
SCHEMBL8073319 0.89 SLC37A4 (0.36)
SCHEMBL8062545 0.82 ACHE (0.36)
SCHEMBL8077268 0.78 CES2 (0.45)
SCHEMBL8062512 0.77 P4HB (0.42) P4HBCCNE2CDK4CCND1CCNE1
SCHEMBL8070987 0.77 ELANE (0.38) MEN1KMT2A
SCHEMBL8063601 0.76 NFKB1 (0.50) HTR2CHTR2BALDH1A1NFKB1NFKB2
SCHEMBL28611917 0.74 P4HB (0.40) P4HBCCNE2CDK4CCND1CCNE1
SCHEMBL28618812 0.74 P4HB (0.40) P4HBCCNE2CDK4CCND1CCNE1
SCHEMBL28611915 0.74 P4HB (0.40) P4HBCCNE2CDK4CCND1CCNE1
SCHEMBL8077882 0.73 HTT (0.42) P4HBALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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