Catechol

Catechol

SCHEMBL8400642

N#CC=C(c1ccccc1)c1ccccc1.Oc1ccccc1O

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 14/20 0.59
PDE4B Q07343 14/20 0.59
PDE4C Q08493 14/20 0.59
PDE4D Q08499 14/20 0.59
EGFR P00533 2/20 0.42
POLB P06746 2/20 0.42
KDM4E B2RXH2 2/20 0.42
CYP3A4 P08684 2/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
CA12 O43570 1/20 0.42
GMNN O75496 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CA2 P00918 1/20 0.42
LMNA P02545 1/20 0.42
FYN P06241 1/20 0.42
CA3 P07451 1/20 0.42
MMP9 P14780 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
Benzene SCHEMBL28266121 0.91 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL247446 0.91 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL27458661 0.82 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL8999182 0.80 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL127734 0.80 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL24704167 0.80 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL127735 0.80 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL8999173 0.80 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL9519781 0.79 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL24704163 0.76 TBXAS1 (0.54) PDE4APDE4BPDE4CPDE4DPOLB

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
EP-0640586-B1 STILBENE DERIVATIVE AND STILBENE ANALOG DERIVATIVE, AND USE THEREOF MORINAGA MILK INDUSTRY CO LTD (JP) 1999-06-09 EP disclosed
US-5589506-A ENZYME INHIBITORS FOR LIPOXYGENASE MORINAGA MILK INDUSTRY CO., LTD. (JP) 1996-12-31 US disclosed