SCHEMBL28648461

SCHEMBL28648461

Cc1c(C(=O)O)cc(C(C)(C)C)c(O)c1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.55
GLRB P48167 1/20 0.55
SMN1; SMN2 Q16637 4/20 0.47
CA2 P00918 3/20 0.47
ALDH1A1 P00352 2/20 0.47
POLB P06746 1/20 0.47
TYR P14679 1/20 0.47
CA1 P00915 2/20 0.43
CYP2C9 P11712 3/20 0.42
CYP2C19 P33261 3/20 0.42
CYP1A2 P05177 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
GAA P10253 1/20 0.42
GABBR2 O75899 1/20 0.41
GABBR1 Q9UBS5 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 1/20 0.40
HIF1A Q16665 2/20 0.40
TP53 P04637 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
SCHEMBL5000262 0.85 GLRA3 (0.52) GLRA3GLRBSMN1; SMN2CA2ALDH1A1
SCHEMBL30893094 0.85 GLRA3 (0.52) GLRA3GLRBSMN1; SMN2CA2ALDH1A1
SCHEMBL7052082 0.81 GLRA3 (0.47) GLRA3GLRBSMN1; SMN2CA2ALDH1A1
SCHEMBL19194055 0.80 GLRA3 (0.59) GLRA3GLRBSMN1; SMN2CA2ALDH1A1
SCHEMBL31588020 0.78 GLRA3 (0.43) GLRA3GLRBSMN1; SMN2CA2ALDH1A1
SCHEMBL8613476 0.77 GLRA3 (0.50) GLRA3GLRBSMN1; SMN2CA2ALDH1A1
SCHEMBL27716443 0.77 GLRA3 (0.55) GLRA3GLRBSMN1; SMN2CA2ALDH1A1
SCHEMBL29213714 0.77 GLRA3 (0.41) GLRA3GLRBSMN1; SMN2CA2ALDH1A1
SCHEMBL29623812 0.77 SMN1; SMN2 (0.63) GLRA3GLRBSMN1; SMN2CA2ALDH1A1
SCHEMBL215461 0.77 SMN1; SMN2 (0.63) GLRA3GLRBSMN1; SMN2CA2ALDH1A1

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
CN-113423683-A Method for producing 4-hydroxy-2-methylbenzoic acid 本州化学工业株式会社 2021-09-21 CN disclosed