SCHEMBL2849528

SCHEMBL2849528

Cc1cc(O)cc(NCCO)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
THRB P10828 1/20 0.44
GAA P10253 4/20 0.40
MAPK1 P28482 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 4/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
EGFR P00533 1/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 5/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CASP6 P55212 1/20 0.38
GLA P06280 1/20 0.36
HSD17B10 Q99714 2/20 0.36

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
SCHEMBL5187258 0.87 THRB (0.50) ALDH1A1THRBGAAMAPK1MEN1
SCHEMBL4863544 0.87 THRB (0.55) ALDH1A1THRBGAAMAPK1MEN1
SCHEMBL11576865 0.85 BACE1 (0.40) ALDH1A1GAAMAPK1MEN1KMT2A
SCHEMBL10344850 0.84 TRPA1 (0.48) ALDH1A1THRBMAPTCYP1A2CYP3A4
SCHEMBL10345228 0.81 ALDH1A1 (0.43) ALDH1A1THRBMAPTCYP1A2CYP3A4
SCHEMBL21635498 0.79 ALDH1A1 (0.50) ALDH1A1THRBGAAMAPK1MEN1
SCHEMBL14434296 0.78 THRB (0.43) ALDH1A1THRBGAAMAPK1MEN1
SCHEMBL30688924 0.78 THRB (0.47) ALDH1A1THRBGAAMAPK1MEN1
SCHEMBL9823856 0.77 ALDH1A1 (0.43) ALDH1A1THRBGAAMAPK1MEN1
SCHEMBL11509198 0.76 GAA (0.42) ALDH1A1THRBGAAMAPK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1443890-B1 OXIDATION COLOURING AGENT BASED ON BICYCLIC DEVELOPER COMPONENTS HENKEL AG & CO KGAA (DE) 2010-01-13 EP claimed
EP-1453477-B1 DEVELOPER-COUPLER COMBINATION CONTAINING 2,4-DICHLORO-3-AMINOPHENOL HENKEL KGAA (DE) 2007-10-17 EP claimed
EP-1453476-B1 NOVEL OXIDATION DYES COMPRISING 2,4-DICHLORO-3-AMINOPHENOL HENKEL KGAA (DE) 2006-05-03 EP claimed
EP-1453477-A1 NOVEL DEVELOPER-COUPLER COMBINATION CONTAINING 2,4-DICHLORO-3-AMINOPHENOL Henkel Kommanditgesellschaft auf Aktien (DE) 2004-09-08 EP claimed
EP-1443890-A1 OXIDATION COLOURING AGENT BASED ON BICYCLIC DEVELOPER COMPONENTS Henkel Kommanditgesellschaft auf Aktien (DE) 2004-08-11 EP claimed
WO-2003053384-A1 NOVEL DEVELOPER-COUPLER COMBINATION CONTAINING 2,4-DICHLORO-3-AMINOPHENOL HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-07-03 WO claimed
WO-2003041670-A1 OXIDATION COLOURING AGENT BASED ON BICYCLIC DEVELOPER COMPONENTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-05-22 WO claimed
EP-1443890-B1 OXIDATION COLOURING AGENT BASED ON BICYCLIC DEVELOPER COMPONENTS HENKEL AG & CO KGAA (DE) 2010-01-13 EP disclosed
EP-1453477-B1 DEVELOPER-COUPLER COMBINATION CONTAINING 2,4-DICHLORO-3-AMINOPHENOL HENKEL KGAA (DE) 2007-10-17 EP disclosed
EP-1453476-B1 NOVEL OXIDATION DYES COMPRISING 2,4-DICHLORO-3-AMINOPHENOL HENKEL KGAA (DE) 2006-05-03 EP disclosed
EP-1453477-A1 NOVEL DEVELOPER-COUPLER COMBINATION CONTAINING 2,4-DICHLORO-3-AMINOPHENOL Henkel Kommanditgesellschaft auf Aktien (DE) 2004-09-08 EP disclosed
EP-1453476-A1 NOVEL OXIDATION DYES COMPRISING 2,4-DICHLORO-3-AMINOPHENOL Henkel Kommanditgesellschaft auf Aktien (DE) 2004-09-08 EP disclosed
EP-1443890-A1 OXIDATION COLOURING AGENT BASED ON BICYCLIC DEVELOPER COMPONENTS Henkel Kommanditgesellschaft auf Aktien (DE) 2004-08-11 EP disclosed
WO-2003053385-A1 NOVEL OXIDATION DYES COMPRISING 2,4-DICHLORO-3-AMINOPHENOL HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-07-03 WO disclosed
WO-2003053384-A1 NOVEL DEVELOPER-COUPLER COMBINATION CONTAINING 2,4-DICHLORO-3-AMINOPHENOL HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-07-03 WO disclosed
WO-2003041670-A1 OXIDATION COLOURING AGENT BASED ON BICYCLIC DEVELOPER COMPONENTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-05-22 WO disclosed