SCHEMBL2905207

SCHEMBL2905207

CC(C)(C)c1cc(O)cc(C(C)(C)C)c1CC(CC(CC(Cc1c(C(C)(C)C)cc(O)cc1C(C)(C)C)C(=O)O)(CC(Cc1c(C(C)(C)C)cc(O)cc1C(C)(C)C)C(=O)O)CC(Cc1c(C(C)(C)C)cc(O)cc1C(C)(C)C)C(=O)O)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.36
GLRA3 O75311 1/20 0.35
GLRB P48167 1/20 0.35
LMNA P02545 3/20 0.33
CYP2C9 P11712 2/20 0.33
ALDH1A1 P00352 2/20 0.33
ALOX15 P16050 2/20 0.33
NR1I2 O75469 1/20 0.33
MIF P14174 1/20 0.33
TYR P14679 1/20 0.33
HTT P42858 1/20 0.33
NFE2L2 Q16236 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP1A2 P05177 3/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
PDE4A P27815 1/20 0.33
ADRA1A P35348 1/20 0.33
HIF1A Q16665 1/20 0.33
GAA P10253 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
SCHEMBL9067390 0.79 ALDH1A1 (0.39) TDP1GLRA3GLRBLMNACYP2C9
SCHEMBL201844 0.78 HMGCR (0.47) TDP1GLRA3GLRBLMNACYP2C9
SCHEMBL9408130 0.74 CYP2C19 (0.41) GLRA3GLRBLMNACYP2C9ALDH1A1
SCHEMBL9858540 0.74 GLRA3 (0.38) TDP1GLRA3GLRBLMNACYP2C9
SCHEMBL6714136 0.74 CYP1A2 (0.42) GLRA3GLRBLMNACYP2C9ALDH1A1
SCHEMBL9117848 0.71 HMGCR (0.43) TDP1GLRA3GLRBLMNACYP2C9
SCHEMBL1815047 0.71 GLRA3 (0.42) TDP1GLRA3GLRBLMNACYP2C9
SCHEMBL10883893 0.69 HMGCR (0.47) TDP1GLRA3GLRBLMNACYP2C9
SCHEMBL2254157 0.68 KDM4E (0.42) GLRA3GLRBLMNACYP2C9ALDH1A1
SCHEMBL8778314 0.68 HMGB1 (0.41) TDP1CYP1A2SIRT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1664431-B1 ANTIOXIDANT FOR AN ORGANIC MATERIAL AND METHOD FOR TREATING THE SAME ZFB ZENTRUM FUER BUCHERHALTUNG (DE) 2010-08-04 EP disclosed
US-20070187650-A1 Antioxidant for an organic material and method for treating the same ZFB ZENTRUM FUR BUCHERHALTUNG GMBH (DE) 2007-08-16 US disclosed
EP-1664431-A2 ANTIOXIDANT FOR AN ORGANIC MATERIAL AND METHOD FOR TREATING THE SAME ZFB Zentrum für Bucherhaltung GmbH (DE) 2006-06-07 EP disclosed
WO-2005030906-A2 ANTIOXIDANT FOR AN ORGANIC MATERIAL AND METHOD FOR TREATING THE SAME ZFB Zentrum für Bucherhaltung GmbH (DE) 2005-04-07 WO disclosed