SCHEMBL7941371

SCHEMBL7941371

CC(C)(C)c1cc(C(C)(C)CC(=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
GABBR2 O75899 2/20 0.47
GABBR1 Q9UBS5 2/20 0.47
CA2 P00918 3/20 0.47
CA1 P00915 2/20 0.47
ALDH1A1 P00352 5/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
GPR55 Q9Y2T6 1/20 0.45
POLB P06746 1/20 0.45
TYR P14679 1/20 0.45
LMNA P02545 3/20 0.45
RECQL P46063 1/20 0.45
GAA P10253 5/20 0.44
TDP1 Q9NUW8 1/20 0.44
NR5A2 O00482 1/20 0.43
NR5A1 Q13285 1/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
TSHR P16473 3/20 0.42

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
SCHEMBL28432052 0.85 GLRA3 (0.48) GLRA3GLRBGABBR2GABBR1CA2
SCHEMBL10774229 0.85 GLRA3 (0.48) GLRA3GLRBGABBR2GABBR1CA2
SCHEMBL11776262 0.82 GLRA3 (0.46) GLRA3GLRBGABBR2GABBR1CA2
SCHEMBL9219443 0.82 ALDH1A1 (0.46) GLRA3GLRBGABBR2GABBR1CA2
SCHEMBL9774879 0.81 ESR1 (0.45) GLRA3GLRBCA2CA1ALDH1A1
SCHEMBL22118122 0.81 LMNA (0.45) GLRA3GLRBGABBR2GABBR1CA2
Ethylene Glycol SCHEMBL11704704 0.81 GLRA3 (0.44) GLRA3GLRBGABBR2GABBR1CA2
1,4-Butanediol SCHEMBL11708084 0.78 VCAM1 (0.44) GLRA3GLRBGABBR2GABBR1CA2
1,3-Propanediol SCHEMBL11703970 0.78 GLRA3 (0.42) GLRA3GLRBGABBR2GABBR1CA2
1,6-Hexanediol SCHEMBL11706482 0.77 VCAM1 (0.43) GLRA3GLRBGABBR2GABBR1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6242514-B1 CYCLIC PHOSPHATE OR PHOSPHONATE; HEAT AND OXIDATION STABILIZER ESPECIALLY FOR OLEFIN POLYMERS AND ENGINEERING THERMOPLASTICS SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2001-06-05 US disclosed