Catechol

Catechol

SCHEMBL3376196

NC(=O)O.Oc1ccccc1O

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.62
ALDH1A1 P00352 6/20 0.62
HSD17B10 Q99714 6/20 0.62
KDM4E B2RXH2 5/20 0.62
CA2 P00918 4/20 0.62
ALOX15 P16050 4/20 0.62
MAPT P10636 3/20 0.62
CA12 O43570 3/20 0.62
CA14 Q9ULX7 3/20 0.62
CA4 P22748 3/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
POLB P06746 2/20 0.62
CYP3A4 P08684 2/20 0.62
RECQL P46063 2/20 0.62
BLM P54132 2/20 0.62
PMP22 Q01453 2/20 0.62
TDP1 Q9NUW8 2/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
NFKB1 P19838 2/20 0.62
LMNA P02545 2/20 0.62

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 SCHEMBL28171596 0.90 KDM4E (0.67) HPGDALDH1A1HSD17B10KDM4ECA2
Catechol SCHEMBL30530338 0.87 ALDH1A1 (0.71) HPGDALDH1A1HSD17B10KDM4ECA2
Catechol SCHEMBL21196902 0.87 ALDH1A1 (0.71) HPGDALDH1A1HSD17B10KDM4ECA2
Catechol SCHEMBL154583 0.87 ALDH1A1 (0.71) HPGDALDH1A1HSD17B10KDM4ECA2
Catechol SCHEMBL27477808 0.85 KDM4E (0.59) HPGDALDH1A1HSD17B10KDM4ECA2
Catechol SCHEMBL1927966 0.85 KDM4E (0.59) HPGDALDH1A1HSD17B10KDM4ECA2
Catechol SCHEMBL27612050 0.85 MAPT (0.59) HPGDALDH1A1HSD17B10KDM4ECA2
Catechol SCHEMBL28388320 0.84 ALDH1A1 (0.67) HPGDALDH1A1HSD17B10KDM4ECA2
Catechol SCHEMBL27533155 0.84 ALDH1A1 (0.67) HPGDALDH1A1HSD17B10KDM4ECA2
Catechol SCHEMBL27533154 0.84 ALDH1A1 (0.67) HPGDALDH1A1HSD17B10KDM4ECA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010079409-A2 USE OF AMINOCARBOXYLATE FUNCTIONALIZED CATECHOLS FOR CLEANING APPLICATIONS ECOLAB INC. (US) 2010-07-15 WO claimed
US-7645731-B1 Use of aminocarboxylate functionalized catechols for cleaning applications ECOLAB INC. (US) 2010-01-12 US claimed
WO-2010079409-A2 USE OF AMINOCARBOXYLATE FUNCTIONALIZED CATECHOLS FOR CLEANING APPLICATIONS ECOLAB INC. (US) 2010-07-15 WO disclosed
US-7645731-B1 Use of aminocarboxylate functionalized catechols for cleaning applications ECOLAB INC. (US) 2010-01-12 US disclosed
US-4788324-A Preparation of o-(1-methoxy-2-chloro)-ethoxyphenyl N-methylcarbamate BASF AKTIENGESELLSCHAFT (DE) 1988-11-29 US disclosed
US-4537986-A Preparation of pyrocatechol methylcarbamate BASF AKTIENGESELLSCHAFT (DE) 1985-08-27 US disclosed
US-3950533-A Pyrocatechol carbamates and o-mercaptophenol carbamates and their use for combating pests CIBA-GEIGY AG (CH) 1976-04-13 US disclosed
US-3843720-A PYROCATECHOL CARBAMATES AND O-MERCAPTOPHENOL CARBAMATES AND THEIR USE FOR COMBATING PESTS CIBA GEIGY AG 1974-10-22 US disclosed