SCHEMBL9340528

SCHEMBL9340528

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.48
CA1 P00915 2/20 0.48
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
POLB P06746 1/20 0.47
TYR P14679 1/20 0.47
GAA P10253 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
GLRA3 O75311 1/20 0.46
GLRB P48167 1/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GALR3 O60755 1/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
MAPT P10636 3/20 0.42
ALOX15 P16050 2/20 0.42
HPN P05981 1/20 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
SCHEMBL9340510 0.90 CYP2C9 (0.50) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL11702172 0.86 CA2 (0.50) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL100584 0.85 GLRA3 (0.50) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL11701528 0.85 ALDH1A1 (0.50) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL6275312 0.85 GLRA3 (0.50) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL2400355 0.83 CA2 (0.47) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL8823305 0.83 CA2 (0.47) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL21519855 0.83 CA2 (0.47) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL1874068 0.83 CA2 (0.47) CA2CA1ALDH1A1SMN1; SMN2POLB
Methane SCHEMBL4556718 0.83 GLRA3 (0.48) CA2CA1ALDH1A1SMN1; SMN2POLB

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
EP-0421928-B1 Hydroxyphenylcarboxylic acid esters as stabilizers CIBA GEIGY AG (CH) 1994-06-15 EP claimed