SCHEMBL19917541

SCHEMBL19917541

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

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
GPR55 Q9Y2T6 1/20 0.40
GAA P10253 5/20 0.40
CA2 P00918 2/20 0.40
CA1 P00915 1/20 0.40
RECQL P46063 2/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 5/20 0.39
TDP1 Q9NUW8 2/20 0.39
POLB P06746 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TYR P14679 1/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
BLM P54132 3/20 0.39
PTGS2 P35354 2/20 0.39
USP2 O75604 2/20 0.39

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
SCHEMBL31621099 0.76 GLRA3 (0.50) GLRA3GLRBGABBR2GABBR1GPR55
SCHEMBL13144688 0.76 GLRA3 (0.50) GLRA3GLRBGABBR2GABBR1GAA
SCHEMBL7941371 0.75 GLRA3 (0.48) GLRA3GLRBGABBR2GABBR1GPR55
SCHEMBL10880263 0.74 GLRA3 (0.41) GLRA3GLRBGABBR2GABBR1GPR55
SCHEMBL9219443 0.72 ALDH1A1 (0.46) GLRA3GLRBGABBR2GABBR1GAA
SCHEMBL2860842 0.72 GLRA3 (0.53) GLRA3GLRBGABBR2GABBR1GPR55
SCHEMBL8348961 0.72 CA2 (0.52) GABBR2GABBR1GAACA2CA1
SCHEMBL1576823 0.72 GLRA3 (0.53) GLRA3GLRBGABBR2GABBR1GPR55
SCHEMBL4138805 0.71 GLRA3 (0.44) GLRA3GLRBGABBR2GABBR1GPR55
SCHEMBL207155 0.71 LMNA (0.45) GLRA3GLRBGABBR2GABBR1GPR55

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-20180057767-A1 LUBRICANT COMPOSITION BASF SE (DE) 2018-03-01 US disclosed