SCHEMBL7533231

SCHEMBL7533231

CC(C)(C)c1cc2c(c(C(C)(C)C)c1O)CC1(CCCCCCC1)S2

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ CA2 P00918 3/20 0.33
▸ CA1 P00915 2/20 0.33
▸ POLB P06746 1/20 0.32
▸ TYR P14679 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL7528155 1.00 ALDH1A1 (0.33) ALDH1A1KDM4ETDP1CA2CA1
SCHEMBL6306672 1.00 ALDH1A1 (0.33) ALDH1A1KDM4ETDP1CA2CA1
SCHEMBL7732349 0.99 CA2 (0.33) ALDH1A1KDM4ETDP1CA2CA1
SCHEMBL6312392 0.86 CNR2 (0.38) ALDH1A1CA2CA1POLBTYR
SCHEMBL6308900 0.80 CA2 (0.40) ALDH1A1KDM4ECA2CA1POLB
Dimethylamine SCHEMBL6307740 0.76 CA2 (0.37) ALDH1A1TDP1CA2CA1POLB
SCHEMBL7522979 0.76 CA2 (0.33) ALDH1A1KDM4ETDP1CA2CA1
SCHEMBL7524824 0.76 CA2 (0.33) ALDH1A1KDM4ETDP1CA2CA1
SCHEMBL6306885 0.75 ALDH1A1 (0.33) ALDH1A1KDM4ETDP1CA2CA1
SCHEMBL7523511 0.75 CA2 (0.33) ALDH1A1KDM4ETDP1CA2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
EP-0868913-A1 INTIMAL THICKENING INHIBITOR Chugai Seiyaku Kabushiki Kaisha (JP) 1998-10-07 — — EP claimed
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
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
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
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