Catechol

Catechol

SCHEMBL28144792

C=CC(=O)NCCC.Oc1ccccc1O

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.51
ZDHHC2 Q9UIJ5 1/20 0.51
TGM2 P21980 3/20 0.44
NAAA Q02083 1/20 0.43
APP P05067 1/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 3/20 0.41
EGFR P00533 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PELI1 Q96FA3 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
EPHX2 P34913 1/20 0.39
BCHE P06276 1/20 0.39
NPSR1 Q6W5P4 1/20 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
Catechol SCHEMBL28034242 0.86 TGM2 (0.44) ZDHHC20ZDHHC2TGM2NAAAALDH1A1
SCHEMBL141762 0.83
Catechol SCHEMBL28258582 0.81 TGM2 (0.38) ZDHHC20ZDHHC2TGM2NAAAAPP
Hydrochloric Acid SCHEMBL15846881 0.81
Water SCHEMBL28252943 0.81
Ammonia Solution, Strong SCHEMBL27756085 0.81
SCHEMBL9063855 0.81
SCHEMBL28752877 0.81 RAB9A (0.49) ZDHHC20ZDHHC2TGM2GAAALDH1A1
Bicarbonate SCHEMBL8365492 0.79 ZDHHC20 (0.64) ZDHHC20ZDHHC2TGM2GAAALDH1A1
SCHEMBL11326540 0.79 ZDHHC20 (0.64) ZDHHC20ZDHHC2TGM2GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106674420-A Coloring material, coloring film, preparation method of coloring film and eye ophthalmic lens 鸿富锦精密工业(深圳)有限公司 2017-05-17 CN claimed
CN-106632898-A Spectacle lens material, and spectacle lens and preparation method thereof 鸿富锦精密工业(深圳)有限公司 2017-05-10 CN claimed
CN-108976340-A Eye lens and preparation method thereof 鸿富锦精密工业(深圳)有限公司 2018-12-11 CN disclosed
CN-108976340-A Eye lens and preparation method thereof 鸿富锦精密工业(深圳)有限公司 2018-12-11 CN disclosed
CN-106632898-A Spectacle lens material, and spectacle lens and preparation method thereof 鸿富锦精密工业(深圳)有限公司 2017-05-10 CN disclosed