SCHEMBL9685002

SCHEMBL9685002

CC1=C(C(=O)O)C(c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C(C(=O)O)=C(C)N1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.46
GLRB P48167 1/20 0.46
GAA P10253 4/20 0.44
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
CA2 P00918 2/20 0.43
POLB P06746 1/20 0.43
TYR P14679 1/20 0.43
CA1 P00915 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
GABBR2 O75899 1/20 0.39
GABBR1 Q9UBS5 1/20 0.39
TNFRSF1A P19438 1/20 0.38
CACNA1B Q00975 2/20 0.38
PTGS1 P23219 2/20 0.38
PTGS2 P35354 2/20 0.38
MEN1 O00255 1/20 0.37
GALR3 O60755 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL9686036 0.88 KDM4E (0.55) GAAALDH1A1SMN1; SMN2POLBCACNA1B
SCHEMBL7821234 0.74 KDM4E (0.47) GAAALDH1A1SMN1; SMN2CA2POLB
SCHEMBL30932230 0.71 ALDH1A1 (0.64) GAAALDH1A1SMN1; SMN2POLBCACNA1B
SCHEMBL9688157 0.71 KDM4E (0.49) GAAALDH1A1SMN1; SMN2CACNA1BHTT
SCHEMBL9580241 0.70 CA2 (0.48) GLRA3GLRBGAAALDH1A1SMN1; SMN2
Hydrazine SCHEMBL9180071 0.69 GLRA3 (0.59) GLRA3GLRBGAAALDH1A1SMN1; SMN2
SCHEMBL227202 0.68 GLRA3 (0.63) GLRA3GLRBGAAALDH1A1SMN1; SMN2
SCHEMBL7341175 0.68 CACNA1B (0.64) CACNA1B
SCHEMBL8949674 0.67 CACNA1F (0.53) GAAALDH1A1SMN1; SMN2POLBCACNA1B
SCHEMBL4789805 0.67 LMNA (0.48) GAAALDH1A1SMN1; SMN2POLBCACNA1B

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
EP-0500426-A1 2,6-Dimethyl-4-(4'-hydroxy-3',5'-di-t-butylphenyl)-1,4-dihydropyridine derivatives, process for their preparation and their use as free radical scavengers Instituto de Investigacion Y Desarrollo Quimico-Biologico S.A. (ES) 1992-08-26 EP claimed
EP-0500426-A1 2,6-Dimethyl-4-(4'-hydroxy-3',5'-di-t-butylphenyl)-1,4-dihydropyridine derivatives, process for their preparation and their use as free radical scavengers Instituto de Investigacion Y Desarrollo Quimico-Biologico S.A. (ES) 1992-08-26 EP disclosed