SCHEMBL2765770

SCHEMBL2765770

CC(C)(C)c1cc(C(C)(C(=O)O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O.CC(C)(C)c1cc(C(C)(C(=O)O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O.NCCCCCCN

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.42
GLRB P48167 1/20 0.42
GABBR2 O75899 1/20 0.42
GABBR1 Q9UBS5 1/20 0.42
GAA P10253 3/20 0.40
CA2 P00918 2/20 0.40
CA1 P00915 1/20 0.40
LMNA P02545 2/20 0.40
RECQL P46063 1/20 0.40
ALDH1A1 P00352 4/20 0.39
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.39
TYR P14679 1/20 0.39
NR5A2 O00482 1/20 0.39
NR5A1 Q13285 1/20 0.39
ALOX5 P09917 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
TNFRSF1A P19438 1/20 0.38

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
SCHEMBL2860842 0.87 GLRA3 (0.53) GLRA3GLRBGABBR2GABBR1GAA
1,6-Hexanediol SCHEMBL517945 0.86 VCAM1 (0.45) GLRA3GLRBGABBR2GABBR1GAA
Ethylene Glycol SCHEMBL7080497 0.83 GSR (0.47) GLRA3GLRBGABBR2GABBR1GAA
SCHEMBL29045735 0.81 ALDH1A1 (0.45) GLRA3GLRBGABBR2GABBR1GAA
SCHEMBL28722224 0.79 TNFRSF1A (0.51) GLRA3GLRBGABBR2GABBR1GAA
SCHEMBL462695 0.78 CYP2C9 (0.55) GLRA3GLRBGABBR2GABBR1GAA
SCHEMBL11668004 0.78 HSPA5 (0.47) GLRA3GLRBGABBR2GABBR1GAA
1,6-Hexanediol SCHEMBL26092101 0.77 NR5A2 (0.44) GLRA3GLRBGABBR2GABBR1GAA
SCHEMBL206921 0.77 LMNA (0.42) GLRA3GLRBGABBR2GABBR1GAA
Di(Hydroxyethyl)Ether SCHEMBL3683440 0.77 GSR (0.42) GLRA3GLRBGABBR2GABBR1GAA

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-1773932-B1 SOLUBILIZED ADDITIVE COMPOSITION COMPRISING ACIDIC AND BASIC CONSTITUENTS INVISTA TECH SARL (CH) 2010-04-14 EP disclosed
EP-1773932-A1 SOLUBILIZED ADDITIVE COMPOSITION COMPRISING ACIDIC AND BASIC CONSTITUENTS INVISTA Technologies S.à.r.l. (CH) 2007-04-18 EP disclosed
WO-2006002187-A1 SOLUBILIZED ADDITIVE COMPOSITION COMPRISING ACIDIC AND BASIC CONSTITUENTS INVISTA TECHNOLOGIES S.A R.L. (CH) 2006-01-05 WO disclosed
US-20050282943-A1 Solubilized additive composition comprising acidic and basic constituents INVISTA NORTH AMERICA S.A R.L. (US) 2005-12-22 US disclosed