SCHEMBL8150631

SCHEMBL8150631

CC(C)(C)c1cc(C(Cl)C(=O)O)cc(C(C)(C)C)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GLRA3 O75311 1/20 0.48
▸ GLRB P48167 1/20 0.48
▸ CA2 P00918 3/20 0.47
▸ CA1 P00915 2/20 0.47
▸ ALDH1A1 P00352 4/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ TYR P14679 1/20 0.45
▸ GAA P10253 3/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ GABBR2 O75899 2/20 0.44
▸ GABBR1 Q9UBS5 2/20 0.44
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ GALR3 O60755 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ MAPT P10636 3/20 0.41
▸ ALOX15 P16050 2/20 0.41
▸ HPN P05981 1/20 0.41

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
SCHEMBL11348465 0.81 GLRA3 (0.52) GLRA3GLRBCA2CA1ALDH1A1
Terbuficin SCHEMBL2110504 0.81 GLRA3 (0.52) GLRA3GLRBCA2CA1ALDH1A1
SCHEMBL11444175 0.79 GLRA3 (0.50) GLRA3GLRBCA2CA1ALDH1A1
SCHEMBL6275312 0.79 GLRA3 (0.50) GLRA3GLRBCA2CA1ALDH1A1
SCHEMBL100584 0.79 GLRA3 (0.50) GLRA3GLRBCA2CA1ALDH1A1
Hydrochloric Acid SCHEMBL1874072 0.78 GLRA3 (0.48) GLRA3GLRBCA2CA1ALDH1A1
SCHEMBL5280803 0.78 GLRA3 (0.48) GLRA3GLRBCA2CA1ALDH1A1
SCHEMBL38652274 0.78 GLRA3 (0.48) GLRA3GLRBCA2CA1ALDH1A1
Charcoal, Activated SCHEMBL30758836 0.78 GLRA3 (0.48) GLRA3GLRBCA2CA1ALDH1A1
Methane SCHEMBL4556718 0.78 GLRA3 (0.48) GLRA3GLRBCA2CA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0737659-B1 7-Substituted quinone methides as inhibitors for unsaturated monomers CIBA SC HOLDING AG (CH) 2000-07-05 — — EP disclosed
US-5750765-A 7-substituted quinone methides as inhibitors for unsaturated monomers CIBA SPECIALTY CHEMICALS CORPORATION (US) 1998-05-12 — — US disclosed
US-5670692-A 7-substituted quinone methides as inhibitors for unsaturated monomers CIBA-GEIGY CORPORATION (US) 1997-09-23 — — US disclosed
US-5583247-A PREMATURE POLYMERIZATION STABILIZERS CIBA-GEIGY CORPORATION (US) 1996-12-10 — — US disclosed
EP-0737659-A1 7-Substituted quinone methides as inhibitors for unsaturated monomers CIBA-GEIGY AG (CH) 1996-10-16 — — EP disclosed
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