SCHEMBL7732088

SCHEMBL7732088

CCCOc1cc(C(C)(C)C)c(OC(C)=O)c(C(C)(C)C)c1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.36
PPARG P37231 2/20 0.36
RARG P13631 1/20 0.36
CYP1A2 P05177 1/20 0.33
ADRA2A P08913 1/20 0.33
CYP2D6 P10635 1/20 0.33
PKM P14618 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
ADRA1D P25100 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
ADRA1B P35368 1/20 0.33
DRD3 P35462 1/20 0.33
OPRK1 P41145 1/20 0.33
CHRNA4 P43681 1/20 0.33
HIF1A Q16665 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
THRA P10827 1/20 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
SCHEMBL7730279 0.92 CYP1A2 (0.34) PPARGCYP1A2ADRA2ACYP2D6PKM
SCHEMBL7729839 0.82 LIG1 (0.34) RXRAPPARGRARGCYP2D6MEN1
SCHEMBL7730009 0.77 PTGS1 (0.45) CYP1A2CYP2D6HIF1ASMN1; SMN2BLM
SCHEMBL8368654 0.76 KDM4E (0.40) CYP1A2SMN1; SMN2POLB
SCHEMBL8368611 0.74 ALDH1A1 (0.38) RXRAPPARGRARGSMN1; SMN2MEN1
SCHEMBL5590050 0.74 PTGS1 (0.40) RXRAPPARGRARG
SCHEMBL8367279 0.72 SYK (0.40)
SCHEMBL7734483 0.72 ALOX5 (0.32) ALOX5
SCHEMBL7734484 0.71 ALOX5 (0.33) ALOX5
SCHEMBL8367277 0.70 PDE4B (0.34) POLB

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 12 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-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-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
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-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
EP-0665208-A1 4-ALKOXY-2,6-DI-t-BUTYLPHENOL DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 1995-08-02 EP disclosed