SCHEMBL11240007

SCHEMBL11240007

C=CC(C)(C(=O)O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.46
GLRB P48167 1/20 0.46
GABBR2 O75899 2/20 0.45
GABBR1 Q9UBS5 2/20 0.45
CA2 P00918 3/20 0.44
CA1 P00915 2/20 0.44
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 1/20 0.42
TYR P14679 1/20 0.42
GAA P10253 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
TNFRSF1A P19438 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 2/20 0.40
CYP1A2 P05177 2/20 0.40
USP2 O75604 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 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
SCHEMBL20557103 0.77 TPMT (0.39) ALDH1A1MAPTCYP3A4TSHRL3MBTL1
SCHEMBL20557104 0.77 TPMT (0.39) ALDH1A1MAPTCYP3A4TSHRL3MBTL1
SCHEMBL28762386 0.76 GABBR2 (0.40) GLRA3GLRBGABBR2GABBR1CA2
SCHEMBL2860842 0.76 GLRA3 (0.53) GLRA3GLRBGABBR2GABBR1CA2
SCHEMBL1576823 0.76 GLRA3 (0.53) GLRA3GLRBGABBR2GABBR1CA2
SCHEMBL252843 0.76 GLRA3 (0.42) GLRA3GLRBGABBR2GABBR1CA2
SCHEMBL1685555 0.76 GABBR2 (0.45) GLRA3GLRBGABBR2GABBR1CA2
Acrylic Acid SCHEMBL30923511 0.73 GLRA3 (0.50) GLRA3GLRBGABBR2GABBR1CA2
SCHEMBL27978944 0.73 GLRA3 (0.50) GLRA3GLRBGABBR2GABBR1CA2
SCHEMBL13144688 0.73 GLRA3 (0.50) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4354007-A Process for preparing oxidatively-stable polymers SCOTT GERALD 1982-10-12 US disclosed
US-4213892-A 2- AND/OR 6-TERTIARY ALKYL PHENOL SCOTT GERALD (GB) 1980-07-22 US disclosed