SCHEMBL7522979

SCHEMBL7522979

CC(C)C1(C(C)C)Cc2c(cc(C(C)(C)C)c(O)c2C(C)(C)C)S1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 3/20 0.33
▸ CA1 P00915 2/20 0.33
▸ PTGS1 P23219 3/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ POLB P06746 1/20 0.33
▸ TYR P14679 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ KDM4E B2RXH2 3/20 0.31
▸ MAPT P10636 3/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ HMGCR P04035 2/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ HPN P05981 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ SIRT5 Q9NXA8 1/20 0.30
▸ PTGS2 P35354 1/20 0.30

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
SCHEMBL6308900 0.81 CA2 (0.40) CA2CA1PTGS1ALDH1A1POLB
SCHEMBL7527616 0.78 — —
SCHEMBL7524824 0.77 CA2 (0.33) CA2CA1PTGS1ALDH1A1POLB
Dimethylamine SCHEMBL6307740 0.77 CA2 (0.37) CA2CA1PTGS1ALDH1A1POLB
SCHEMBL7732349 0.77 CA2 (0.33) CA2CA1PTGS1ALDH1A1POLB
SCHEMBL6306885 0.76 ALDH1A1 (0.33) CA2CA1ALDH1A1POLBTYR
SCHEMBL7528155 0.76 ALDH1A1 (0.33) CA2CA1ALDH1A1POLBTYR
SCHEMBL7533231 0.76 ALDH1A1 (0.33) CA2CA1ALDH1A1POLBTYR
SCHEMBL7523511 0.76 CA2 (0.33) CA2CA1PTGS1ALDH1A1POLB
SCHEMBL6306672 0.76 ALDH1A1 (0.33) CA2CA1ALDH1A1POLBTYR

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
US-6440999-B1 Intimal thickening inhibitory agent CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-08-27 — — US disclosed
EP-0791589-B1 4,6-DI-t-BUTYL-2,3-DIHYDROBENZOTHIOPHENES WHICH INHIBIT LDL OXIDATION CHUGAI PHARMACEUTICAL CO LTD (JP) 2002-03-06 — — EP disclosed
CN-1073563-C 4, 6-di-tert-butyl-2, 3-dihydrobenzothiophene derivatives CHUGAI PHARMACEUTICAL CO LTD (JP) 2001-10-24 — — CN disclosed
US-6133279-A A 2,6-DI-T-BUTYLPHENOL DERIVATIVE FOR RENAL DISEASES, E.G., CHRONIC RENAL FAILURE, DIABETIC NEPHROPATHY GLOMERULAR NEPHRITIS, IMMUNOCOMPLEX NEPHRITIS AND ACUTE RENAL FAILURE; CYTOPROTECTIVE AGENT THAT INHIBITS THE LIPID PEROXIDATION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2000-10-17 — — US disclosed
US-6103753-A ADMINISTERING TO A PATIENT FOR INHIBITING THICKENING OF VASCULAR STENOSIS FOLLOWING PERCUTANEOUS TRANSLUMINAL CORONARY ANGIOPLASTY, A 2,6-DI-T-BUTYLPHENOL DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2000-08-15 — — US disclosed
EP-0950405-A1 REMEDIES FOR RENAL DISEASES AND ORGAN-PRESERVING AGENTS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1999-10-20 — — EP disclosed
CN-1204259-A Intimal thickening inhibitor SHONAN KIKO K K (JP) 1999-01-06 — — CN disclosed
EP-0868913-A1 INTIMAL THICKENING INHIBITOR Chugai Seiyaku Kabushiki Kaisha (JP) 1998-10-07 — — EP disclosed
US-5789436-A ARTERIOSCLEROSIS; INHIBITORS OF OXIDATION OF LOW DENSITY LIPOPROTEINS; CHUGAI SEIYAK KABUSHIKI KAISHA (JP) 1998-08-04 — — US disclosed
EP-0791589-A1 4,6-DI-t-BUTYL-2,3-DIHYDROBENZOTHIOPHENES WHICH INHIBIT LDL OXIDATION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1997-08-27 — — EP disclosed
CN-1148386-A 4,6-di-5-butyl-2,3-dihydrobenzothiophene derivative CHUGAI PHARMACEUTICAL CO LTD (JP) 1997-04-23 — — CN disclosed
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