Catechol

Catechol

SCHEMBL30859528

C=CC(=O)O.C=CC(=O)O.C=CC(=O)O.Oc1ccccc1O

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.53
HPGD P15428 6/20 0.53
ALDH1A1 P00352 5/20 0.53
MAPT P10636 5/20 0.53
CA2 P00918 4/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
CA4 P22748 3/20 0.53
CA12 O43570 3/20 0.53
CA14 Q9ULX7 3/20 0.53
NFKB1 P19838 3/20 0.53
HSD17B10 Q99714 3/20 0.53
CYP3A4 P08684 3/20 0.53
LMNA P02545 2/20 0.53
EGFR P00533 2/20 0.53
ALOX15 P16050 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
NPC1 O15118 1/20 0.53
GMNN O75496 1/20 0.53
FYN P06241 1/20 0.53
POLB P06746 1/20 0.53

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 SCHEMBL19181220 1.00 KDM4E (0.53) KDM4EHPGDALDH1A1MAPTCA2
Catechol SCHEMBL27718884 0.97 KDM4E (0.50) KDM4EHPGDALDH1A1MAPTCA2
Pyrogallol SCHEMBL8070517 0.85 CA1 (0.57) KDM4EHPGDALDH1A1MAPTCA2
Salicylic Acid SCHEMBL11396302 0.84 HPGD (0.75) KDM4EHPGDALDH1A1MAPTCA2
Orthocresol SCHEMBL2471903 0.84 AKT1 (0.43) KDM4EHPGDALDH1A1MAPTCA2
Acrylic Acid SCHEMBL10535418 0.84 CA2 (0.57) KDM4EHPGDALDH1A1MAPTCA2
Phenol SCHEMBL111623 0.84 CA1 (0.58) KDM4EHPGDALDH1A1MAPTCA2
Phenol SCHEMBL28959304 0.84 CA1 (0.58) KDM4EHPGDALDH1A1MAPTCA2
Phenol SCHEMBL28699432 0.84 CA1 (0.58) KDM4EHPGDALDH1A1MAPTCA2
Phenol SCHEMBL30456139 0.84 CA1 (0.58) KDM4EHPGDALDH1A1MAPTCA2

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
CN-117487360-A Organic silicon rubber and preparation method and application thereof 湖南贝森新材料有限公司 2024-02-02 CN claimed
CN-117487360-A Organic silicon rubber and preparation method and application thereof 湖南贝森新材料有限公司 2024-02-02 CN disclosed