SCHEMBL7730009

SCHEMBL7730009

CCCOc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.39
CA2 P00918 3/20 0.39
ALDH1A1 P00352 3/20 0.39
POLB P06746 1/20 0.39
TYR P14679 1/20 0.39
CYP2C9 P11712 5/20 0.37
CYP2C19 P33261 5/20 0.37
HIF1A Q16665 4/20 0.37
TP53 P04637 3/20 0.37
HSPA5 P11021 2/20 0.37
PTGS2 P35354 3/20 0.36
CA1 P00915 2/20 0.36
CYP1A2 P05177 2/20 0.36
LMNA P02545 4/20 0.34
CYP3A4 P08684 2/20 0.34
ALOX15 P16050 2/20 0.34
HPGD P15428 1/20 0.34
SCN2A Q99250 2/20 0.34
GAA P10253 2/20 0.33

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
SCHEMBL7728038 0.90 SMN1; SMN2 (0.41) PTGS1SMN1; SMN2CA2ALDH1A1POLB
SCHEMBL27965948 0.87 PTGS1 (0.42) PTGS1SMN1; SMN2CA2ALDH1A1POLB
SCHEMBL5590048 0.84 PTGS1 (0.47) PTGS1SMN1; SMN2CA2ALDH1A1POLB
SCHEMBL7729791 0.79 PTGS2 (0.37) PTGS1SMN1; SMN2CA2ALDH1A1POLB
SCHEMBL1144365 0.78 CYP3A4 (0.52) PTGS1SMN1; SMN2CA2ALDH1A1POLB
SCHEMBL7732088 0.77 RXRA (0.36) SMN1; SMN2POLBHIF1ACYP1A2CYP2D6
SCHEMBL8832899 0.77 SMN1; SMN2 (0.38) PTGS1SMN1; SMN2CA2ALDH1A1POLB
SCHEMBL5587145 0.76 PTGS1 (0.40) PTGS1SMN1; SMN2CA2ALDH1A1POLB
SCHEMBL2163786 0.76 ACHE (0.38) SMN1; SMN2CA2ALDH1A1POLBTYR
SCHEMBL29669624 0.76 ACHE (0.38) SMN1; SMN2CA2ALDH1A1POLBTYR

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 15 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
US-6417225-B1 HYDROQUINONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-07-09 US disclosed
US-6156793-A Prophylactic/therapeutic agents for atherosclerosis CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2000-12-05 US 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
CN-1054128-C 4-alkoxy-2,6-ditert-butyphynol derivative CHUGAI PHARMACEUTICAL CO LTD (JP) 2000-07-05 CN disclosed
EP-0982029-A1 PREVENTIVES/REMEDIES FOR ARTERIOSCLEROSIS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2000-03-01 EP disclosed
EP-0950405-A1 REMEDIES FOR RENAL DISEASES AND ORGAN-PRESERVING AGENTS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1999-10-20 EP disclosed
EP-0665208-B1 4-ALKOXY-2,6-DI-t-BUTYLPHENOL DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 1999-01-13 EP disclosed
EP-0868913-A1 INTIMAL THICKENING INHIBITOR Chugai Seiyaku Kabushiki Kaisha (JP) 1998-10-07 EP disclosed
US-5663373-A ANTIISCHEMIC AGENTS AND ANTIOXIDANTS FORMED IN MULTISTAGE REACTION WITH GRIGNARD REAGENT WITH ALDEHYDE, DISSOLVING, ACIDIFICATION, DEPROTECTION AND CYCLIZATION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1997-09-02 US disclosed
US-5606089-A ANTIISCHEMIC AGENTS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1997-02-25 US disclosed
US-5574178-A CHEMICAL INTERMEDIATES FOR OXIDATION RESISTANCE AND ANTIISCHEMIC AGENTS FORMED BY MULTISTAGE CYCLIZATION OF ALDEHYDE-ALCOHOL CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1996-11-12 US disclosed
CN-1112115-A 4-alkoxy-2, 6-di-tert-butylphenol derivative CHUGAI PHARMACEUTICAL CO LTD (JP) 1995-11-22 CN disclosed
EP-0665208-A1 4-ALKOXY-2,6-DI-t-BUTYLPHENOL DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 1995-08-02 EP disclosed