SCHEMBL3676042

SCHEMBL3676042

COc1cccc(-c2c(O)ccc(C(N)=O)c2O)c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.47
PIM1 P11309 1/20 0.47
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
ADORA1 P30542 1/20 0.40
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 4/20 0.40
HSD17B10 Q99714 3/20 0.40
PARP1 P09874 2/20 0.40
HPGD P15428 2/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
MAPK1 P28482 1/20 0.40

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 0.87 EGFR (0.47) EGFRPIM1KMT2AMEN1MAPT
SCHEMBL8915806 0.80 ADORA2A (0.44) MAPTADORA2AADORA2BADORA1KDM4E
SCHEMBL5242291 0.77 PARP1 (0.51) KMT2AMAPTKDM4EALDH1A1HSD17B10
SCHEMBL3678173 0.76 ALDH1A1 (0.47) KMT2AMEN1MAPTTDP1KDM4E
SCHEMBL3686051 0.75 HPGD (0.52) KMT2AMEN1MAPTTDP1KDM4E
SCHEMBL1355519 0.74 ALDH1A1 (0.55) MAPTADORA2AADORA2BADORA1KDM4E
SCHEMBL261504 0.74 MAPT (0.56) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL2937908 0.74 MEN1 (0.51) EGFRPIM1KMT2AMEN1MAPT
SCHEMBL29119410 0.73 MAPT (0.50) EGFRPIM1KMT2AMEN1MAPT
Hydrochloric Acid SCHEMBL16654449 0.73 MAPT (0.54) KMT2AMEN1MAPTKDM4EALDH1A1

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