Catechol

Catechol

SCHEMBL7781189

Nc1ccccc1N.Oc1ccccc1O

nearest known ligand 0.77

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 5/20 0.77
TSHR P16473 3/20 0.77
ALDH1A1 P00352 6/20 0.67
HPGD P15428 4/20 0.67
HSD17B10 Q99714 4/20 0.67
MAPT P10636 4/20 0.67
CA2 P00918 4/20 0.67
L3MBTL1 Q9Y468 3/20 0.67
LMNA P02545 3/20 0.67
KDM4E B2RXH2 3/20 0.67
CA4 P22748 3/20 0.67
CYP3A4 P08684 2/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
EGFR P00533 2/20 0.67
FYN P06241 2/20 0.67
MMP9 P14780 2/20 0.67
RECQL P46063 2/20 0.67
TDP1 Q9NUW8 2/20 0.67
CA12 O43570 2/20 0.67
CA5A P35218 2/20 0.67

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
Questiomycin B SCHEMBL29430322 0.87
Questiomycin B SCHEMBL3999786 0.87 ALOX15 (1.00) ALOX15TSHRALDH1A1HPGDHSD17B10
Questiomycin B SCHEMBL24436 0.87
Questiomycin B SCHEMBL10898237 0.85 ALOX15 (0.83) ALOX15TSHRALDH1A1HPGDHSD17B10
Questiomycin B SCHEMBL4747619 0.84 ALOX15 (0.94) ALOX15TSHRALDH1A1HPGDHSD17B10
Questiomycin B SCHEMBL11273511 0.84
Questiomycin B SCHEMBL11330404 0.84 ALOX15 (0.94) ALOX15TSHRALDH1A1HPGDHSD17B10
Questiomycin B SCHEMBL3887270 0.84
SCHEMBL18612812 0.84 ALOX15 (0.94) ALOX15TSHRALDH1A1HPGDHSD17B10
Questiomycin B SCHEMBL15436150 0.84

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-1138733-A2 Aqueous dispersion for chemical mechanical polishing of insulating films JSR Corporation (JP) 2001-10-04 EP disclosed
US-4221898-A Polyphosphazene polymers containing ortho-difunctional phenylene substitutents THE FIRESTONE TIRE & RUBBER COMPANY (US) 1980-09-09 US disclosed