SCHEMBL3678173

SCHEMBL3678173

COc1ccc(N)cc1-c1c(O)ccc(C(N)=O)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
GAA P10253 2/20 0.43
KDM4C Q9H3R0 1/20 0.42
LCK P06239 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
SLC22A8 Q8TCC7 1/20 0.39
RAB9A P51151 1/20 0.39
CHEK1 O14757 1/20 0.39
CHEK2 O96017 1/20 0.39
CES2 O00748 1/20 0.39
FYN P06241 1/20 0.39
BRD4 O60885 1/20 0.39
HTT P42858 1/20 0.38
PARP1 P09874 2/20 0.38
ALOX5 P09917 1/20 0.38
MAPT P10636 3/20 0.37
KDM4E B2RXH2 2/20 0.37
CYP3A4 P08684 2/20 0.37

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
SCHEMBL3675429 0.82 EGFR (0.47) ALDH1A1GAAMEN1KMT2AHTT
SCHEMBL3676042 0.76 EGFR (0.47) ALDH1A1GAAMEN1KMT2ARAB9A
SCHEMBL1354320 0.74 ALDH1A1 (0.73) ALDH1A1GAACHEK1HTTMAPT
SCHEMBL31295589 0.74 ALDH1A1 (0.58) ALDH1A1GAAMEN1KMT2AHTT
SCHEMBL623759 0.74 ALDH1A1 (0.58) ALDH1A1GAAMEN1KMT2AHTT
Hydrochloric Acid SCHEMBL15486584 0.73 ALDH1A1 (0.56) ALDH1A1GAAMEN1KMT2AHTT
SCHEMBL787520 0.72 MAPT (0.59) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL13630074 0.71 BRD4 (0.56) ALDH1A1GAAKDM4CBRD4PARP1
SCHEMBL27185972 0.70 ALDH1A1 (0.55) ALDH1A1GAAKDM4CLCKMEN1
SCHEMBL14880183 0.70 MAPT (0.47) ALDH1A1MAPTKDM4ECYP3A4TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2182914-A2 COMPOSITION OXIDATION COLOURING OF KERATINIC FIBRES, CONTAINING A CATIONIC CELLULOSE ETHER, A METASILICATE AND OXIDATION DYES, METHOD FOR OXIDATION COLOURING AND USES THEREOF L'Oreal (FR) 2010-05-12 EP disclosed
EP-2175830-A2 COMPOSITION FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC CELLULOSE ETHER, A WEAKLY OXYETHYLENATED SORBITAN FATTY ACID ESTER AND OXIDATION DYES L'Oreal (FR) 2010-04-21 EP disclosed
WO-2009019383-A2 COMPOSITION OXIDATION COLOURING OF KERATINIC FIBRES, CONTAINING A CATIONIC CELLULOSE ETHER, A METASILICATE AND OXIDATION DYES, METHOD FOR OXIDATION COLOURING AND USES THEREOF L'OREAL (FR) 2009-02-12 WO disclosed
WO-2009016061-A2 COMPOSITION FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC CELLULOSE ETHER, A WEAKLY OXYETHYLENATED SORBITAN FATTY ACID ESTER AND OXIDATION DYES L'OREAL (FR) 2009-02-05 WO disclosed