SCHEMBL7524824

SCHEMBL7524824

CCC1(CC)Cc2c(cc(C(C)(C)C)c(O)c2C(C)(C)C)S1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 3/20 0.33
▸ CA1 P00915 2/20 0.33
▸ ALDH1A1 P00352 7/20 0.33
▸ KDM4E B2RXH2 4/20 0.33
▸ MAPT P10636 2/20 0.33
▸ HSPA5 P11021 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ TYR P14679 1/20 0.33
▸ PTGS2 P35354 3/20 0.32
▸ PTGS1 P23219 3/20 0.32
▸ GAA P10253 2/20 0.31
▸ LMNA P02545 3/20 0.31
▸ RECQL P46063 1/20 0.31
▸ TSHR P16473 2/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ CYP2C9 P11712 3/20 0.30
▸ CYP2C19 P33261 3/20 0.30
▸ HIF1A Q16665 2/20 0.30
▸ CYP1A2 P05177 2/20 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
SCHEMBL7523511 0.90 CA2 (0.33) CA2CA1ALDH1A1KDM4EMAPT
SCHEMBL7521635 0.89 NR5A2 (0.33) CA2CA1ALDH1A1KDM4EMAPT
SCHEMBL6130759 0.88 NR5A2 (0.32) CA2CA1ALDH1A1KDM4EMAPT
SCHEMBL7519511 0.87 NR5A2 (0.32) CA2CA1ALDH1A1KDM4EMAPT
SCHEMBL7520082 0.87 NR5A2 (0.32) CA2CA1ALDH1A1KDM4EMAPT
SCHEMBL7525491 0.87 NR5A2 (0.32) CA2CA1ALDH1A1KDM4EMAPT
SCHEMBL7527616 0.83 — —
SCHEMBL7525761 0.82 GAA (0.35) ALDH1A1PTGS2PTGS1GAALMNA
SCHEMBL6308900 0.81 CA2 (0.40) CA2CA1ALDH1A1KDM4EMAPT
SCHEMBL6306885 0.79 ALDH1A1 (0.33) CA2CA1ALDH1A1KDM4EMAPT

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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