SCHEMBL7519142

SCHEMBL7519142

CC(C)(C)c1cccc(C(C)(C)C)c1-c1cc(O)ccc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.57
ALOX15 P16050 3/20 0.57
HTT P42858 2/20 0.57
HSD17B10 Q99714 2/20 0.57
NR1I2 O75469 1/20 0.57
LMNA P02545 1/20 0.57
CYP2C9 P11712 1/20 0.57
MIF P14174 1/20 0.57
TYR P14679 1/20 0.57
NFE2L2 Q16236 1/20 0.57
CA2 P00918 1/20 0.47
TDP1 Q9NUW8 3/20 0.45
TSHR P16473 1/20 0.45
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
ATP2A2 P16615 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL8775719 0.84 ALDH1A1 (0.48) ALDH1A1ALOX15HTTHSD17B10NR1I2
SCHEMBL7520152 0.81 ALDH1A1 (0.57) ALDH1A1ALOX15HTTHSD17B10NR1I2
SCHEMBL28366203 0.80 TRPA1 (0.47) ALDH1A1ALOX15HTTHSD17B10NR1I2
SCHEMBL7918767 0.79 ALDH1A1 (0.61) ALDH1A1ALOX15HTTHSD17B10NR1I2
SCHEMBL28878350 0.77 CNR1 (0.62) ALDH1A1ALOX15HTTHSD17B10NR1I2
SCHEMBL28749971 0.77 ALDH1A1 (0.44) ALDH1A1ALOX15HTTHSD17B10NR1I2
SCHEMBL29828587 0.76 MEN1 (0.49) ALDH1A1ALOX15HTTLMNATDP1
SCHEMBL10581373 0.76 ALDH1A1 (0.44) ALDH1A1ALOX15HTTHSD17B10LMNA
SCHEMBL28607703 0.76 ALDH1A1 (0.57) ALDH1A1ALOX15HTTHSD17B10NR1I2
SCHEMBL28305291 0.75 GAA (0.51) ALDH1A1HTTMAPTCYP1A2GAA

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
EP-0900225-B1 ALKYL-4-SILYL-PHENOLS AND ESTERS THEREOF AS ANTIATHEROSCLEROTIC AGENTS AVENTIS PHARMA INC (US) 2002-01-30 EP disclosed
US-6133467-A ANTIATHEROSCLEROTIC AGENTS HOECHST MARION ROUSSEL, INC. (US) 2000-10-17 US disclosed
EP-0996623-A1 2,6-DI-t-BUTYL-4- (DIMETHYL-4-METHOXYPHENYLSILYL) -METHYLOXY]PHENOL AND 2,6-DI-t-BUTYL-4- (DIMETHYL-2-METHOXY-PHENYLSILYL) -METHYLOXY]PHENOL HOECHST MARION ROUSSEL, INC. (US) 2000-05-03 EP disclosed
US-5962435-A ANTICHOLESTEROL AGENT HOECHST MARION ROUSSEL, INC. (US) 1999-10-05 US disclosed
EP-0910384-A1 METHOD OF INHIBITING VASCULAR CELL ADHESION MOLECULE-1 AND TREATING CHRONIC INFLAMMATORY DISEASES WITH 2,6-DI-ALKYL-4-SILYL-PHENOLS HOECHST MARION ROUSSEL, INC. (US) 1999-04-28 EP disclosed
EP-0900225-A1 ALKYL-4-SILYL-PHENOLS AND ESTERS THEREOF AS ANTIATHEROSCLEROTIC AGENTS HOECHST MARION ROUSSEL, INC. (US) 1999-03-10 EP disclosed
WO-1998058937-A1 2,6-DI-t-BUTYL-4-[ (DIMETHYL-4-METHOXYPHENYLSILYL) -METHYLOXY]PHENOL AND 2,6-DI-t-BUTYL-4-[ (DIMETHYL-2-METHOXY-PHENYLSILYL) -METHYLOXY]PHENOL HOECHST MARION ROUSSEL, INC. (US) 1998-12-30 WO disclosed
US-5795876-A ANTIINFLAMMATORY AGENTS HOECHST MARION ROUSSSEL, INC. (US) 1998-08-18 US disclosed
WO-1997040837-A1 METHOD OF INHIBITING VASCULAR CELL ADHESION MOLECULE-1 AND TREATING CHRONIC INFLAMMATORY DISEASES WITH 2,6-DI-ALKYL-4-SILYL-PHENOLS HOECHST MARION ROUSSEL, INC. (US) 1997-11-06 WO disclosed
WO-1997041129-A1 ALKYL-4-SILYL-PHENOLS AND ESTERS THEREOF AS ANTIATHEROSCLEROTIC AGENTS HOECHST MARION ROUSSEL, INC. (US) 1997-11-06 WO disclosed
US-5677291-A Method of lowering serum cholesterol levels with 2,6-di-alkyl-4-silyl-phenols HOECHST MARION ROUSSEL, INC. (US) 1997-10-14 US disclosed
US-5608095-A Alkyl-4-silyl-phenols and esters thereof as antiatherosclerotic agents HOECHST MARION ROUSSEL, INC. (US) 1997-03-04 US disclosed