Catechol

Catechol

SCHEMBL28249167

C=C(C)C(=O)OC.Oc1ccccc1O

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.62
TSHR P16473 4/20 0.48
LMNA P02545 3/20 0.48
CA2 P00918 4/20 0.47
CA12 O43570 3/20 0.47
CA14 Q9ULX7 3/20 0.47
CA1 P00915 3/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
ELANE P08246 1/20 0.43
MAPT P10636 4/20 0.42
KDM4E B2RXH2 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
NPC1 O15118 2/20 0.42
GMNN O75496 1/20 0.42
EGFR P00533 1/20 0.42
FYN P06241 1/20 0.42
POLB P06746 1/20 0.42
CA3 P07451 1/20 0.42
CYP3A4 P08684 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
Guaiacol SCHEMBL28184354 0.87 TP53 (0.62) ALDH1A1TSHRLMNACA2CA12
SCHEMBL4051547 0.87 ALDH1A1 (0.52) ALDH1A1TSHRLMNACA2CA12
Phenol SCHEMBL2145525 0.86 ALDH1A1 (0.60) ALDH1A1TSHRLMNACA2CA12
Phenol SCHEMBL27515547 0.86 ALDH1A1 (0.60) ALDH1A1TSHRLMNACA2CA12
Naphthalene SCHEMBL4378459 0.85 ALDH1A1 (0.65) ALDH1A1TSHRELANEMAPTKDM4E
SCHEMBL3297240 0.84 ALDH1A1 (0.48) ALDH1A1TSHRLMNACA2CA12
Catechol SCHEMBL27785718 0.84 TSHR (0.58) ALDH1A1TSHRLMNACA2CA12
O-Xylene SCHEMBL27600002 0.83 ALDH1A1 (0.62) ALDH1A1TSHRELANEMAPTKDM4E
Biphenyl SCHEMBL1395450 0.83 ALDH1A1 (0.62) ALDH1A1TSHRELANEMAPTKDM4E
Hydroquinone SCHEMBL4753503 0.83 ALDH1A1 (0.68) ALDH1A1TSHRLMNACA2CA12

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-108883412-B Microfluidic device for detecting target genes 高丽大学校产学协力团 2021-10-08 CN claimed
CN-108883412-B Microfluidic device for detecting target genes 高丽大学校产学协力团 2021-10-08 CN disclosed
CN-111298202-B Long-acting anticoagulant antibacterial coating for extracorporeal membrane oxygenation device (ECMO) and preparation method thereof 四川大学 2021-03-30 CN disclosed
CN-111298202-A Long-acting anticoagulant antibacterial coating for extracorporeal membrane oxygenation device (ECMO) and preparation method thereof 四川大学 2020-06-19 CN disclosed
CN-108883412-A For detecting the microfluidic device of target gene 高丽大学校产学协力团 2018-11-23 CN disclosed