SCHEMBL5000262

SCHEMBL5000262

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.52
GLRB P48167 1/20 0.52
CA2 P00918 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44
TYR P14679 1/20 0.44
CA1 P00915 2/20 0.41
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP1A2 P05177 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
GAA P10253 1/20 0.40
GABBR2 O75899 1/20 0.39
GABBR1 Q9UBS5 1/20 0.39
CSNK2A1 P68400 1/20 0.39
TNFRSF1A P19438 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL30893094 1.00 GLRA3 (0.52) GLRA3GLRBCA2SMN1; SMN2ALDH1A1
SCHEMBL29213714 0.85 GLRA3 (0.41) GLRA3GLRBCA2SMN1; SMN2ALDH1A1
SCHEMBL28648461 0.85 GLRA3 (0.55) GLRA3GLRBCA2SMN1; SMN2ALDH1A1
SCHEMBL27716443 0.85 GLRA3 (0.55) GLRA3GLRBCA2SMN1; SMN2ALDH1A1
Potassium Ion SCHEMBL29477999 0.83 SMN1; SMN2 (0.41) GLRA3GLRBCA2SMN1; SMN2ALDH1A1
SCHEMBL29477956 0.83 SMN1; SMN2 (0.41) GLRA3GLRBCA2SMN1; SMN2ALDH1A1
SCHEMBL10868061 0.81 TNFRSF1A (0.46) GLRA3GLRBALDH1A1CYP2C19CYP1A2
SCHEMBL10884556 0.79 GLRA3 (0.45) GLRA3GLRBCA2SMN1; SMN2ALDH1A1
SCHEMBL11657298 0.79 GLRA3 (0.39) GLRA3GLRBCA2SMN1; SMN2ALDH1A1
SCHEMBL27852409 0.78 GLRA3 (0.47) GLRA3GLRBCA2SMN1; SMN2ALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113423683-B Method for producing 4-hydroxy-2-methylbenzoic acid 本州化学工业株式会社 2024-06-18 CN disclosed
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
CN-106574090-A 3-phenyl-benzofuran-2-one diphosphite derivatives as stabilizers 巴斯夫欧洲公司 2017-04-19 CN disclosed
US-7420013-B2 Mixtures of compounds comprising at least two double bonds and use thereof BASF AKTIENGESELLSCHAFT (DE) 2008-09-02 US disclosed
US-20060235141-A1 Mixtures of compounds comprising at least two double bonds and use thereof BASF AKTIENGESELLSCHAFT (DE) 2006-10-19 US disclosed
EP-0152097-B1 STABILIZED COMPOSITIONS OF RIGID PVC CIBA-GEIGY AG (CH) 1989-01-18 EP disclosed
EP-0152097-A2 Stabilized compositions of rigid PVC CIBA-GEIGY AG (CH) 1985-08-21 EP disclosed