Catechol

Catechol

SCHEMBL11064124

CC(O)OC(C)O.Oc1ccccc1O

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.53
CA2 P00918 5/20 0.53
ALDH1A1 P00352 5/20 0.53
ALOX15 P16050 4/20 0.53
TDP1 Q9NUW8 3/20 0.53
HPGD P15428 3/20 0.53
HSD17B10 Q99714 3/20 0.53
KDM4E B2RXH2 3/20 0.53
MAPT P10636 3/20 0.53
CA12 O43570 2/20 0.53
CA14 Q9ULX7 2/20 0.53
CYP3A4 P08684 2/20 0.53
EGFR P00533 2/20 0.53
FYN P06241 2/20 0.53
MMP9 P14780 2/20 0.53
RECQL P46063 2/20 0.53
NPC1 O15118 2/20 0.53
CA4 P22748 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
GMNN O75496 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
Phenol SCHEMBL28080618 0.82 CA12 (0.55) LMNACA2ALDH1A1TDP1KDM4E
Catechol SCHEMBL10785335 0.81 CA2 (0.56) LMNACA2ALDH1A1ALOX15TDP1
SCHEMBL9694538 0.81 ALDH1A1 (0.52) LMNACA2ALDH1A1ALOX15TDP1
Biphenyl SCHEMBL8163372 0.79 ALDH1A1 (0.47) LMNAALDH1A1KDM4EMAPTSMN1; SMN2
Hydroquinone SCHEMBL483602 0.78 ESR1 (0.50) LMNACA2ALDH1A1ALOX15HPGD
Catechol SCHEMBL27968623 0.77 ALDH1A1 (0.67) LMNACA2ALDH1A1ALOX15TDP1
Catechol SCHEMBL11558329 0.77 CA2 (0.50) LMNACA2ALDH1A1ALOX15TDP1
Catechol SCHEMBL9427360 0.76 ALDH1A1 (0.77) LMNACA2ALDH1A1ALOX15TDP1
Catechol SCHEMBL10919762 0.76
Resorcinol SCHEMBL443226 0.75 ALDH1A1 (0.57) LMNACA2ALDH1A1ALOX15TDP1

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
US-4457997-A CROTONIC ACID-VINYL ACETATE BINDER HOECHST AKTIENGESELLSCHAFT (DE) 1984-07-03 US disclosed
US-4273850-A 2,5-DIALKOXY-4-ARYLMERCAPTOBENZENE DIAZONIUM SALTS AND A HYDROXYNAPHTHALENE DISULFONAMIDE COUPLER HOECHST AKTIENGESELLSCHAFT (DE) 1981-06-16 US disclosed