SCHEMBL4595705

SCHEMBL4595705

COc1c(C=O)cccc1N(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
SRC P12931 1/20 0.45
ERN1 O75460 3/20 0.44
TLR2 O60603 1/20 0.44
TLR1 Q15399 1/20 0.44
TLR6 Q9Y2C9 1/20 0.44
MCL1 Q07820 1/20 0.40
ALDH1A1 P00352 4/20 0.39
LMNA P02545 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
MEN1 O00255 1/20 0.38
THRB P10828 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
APP P05067 2/20 0.37
NFE2L2 Q16236 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
SCHEMBL11643257 0.83 CA1 (0.46) CA1CA2SRCERN1TLR2
SCHEMBL2787203 0.82 CA1 (0.73) CA1CA2SRCERN1TLR2
SCHEMBL6205162 0.81 CA1 (0.41) CA1CA2SRCERN1TLR2
SCHEMBL16039680 0.76 CCNB2 (0.43) SRCERN1ALDH1A1LMNATDP1
SCHEMBL29954357 0.76 LMNA (0.55) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL97297 0.76 LMNA (0.55) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL188094 0.76 CA1 (0.65) CA1CA2SRCERN1TLR2
SCHEMBL23108166 0.75 CA1 (0.63) CA1CA2SRCERN1TLR2
SCHEMBL1984593 0.75 ALDH1A1 (0.45) CA1CA2ERN1TLR2TLR1
O-Veratraldehyde SCHEMBL29923149 0.75 SRC (0.67) CA1CA2SRCERN1TLR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1432388-A1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN Henkel Kommanditgesellschaft auf Aktien (DE) 2004-06-30 EP claimed
WO-2003030847-A1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-04-17 WO claimed
EP-2766348-A1 BENZODIOXEPIN-3-ONE COMPOUNDS AS DYES OR AS FLUORESCENT EMITTERS Merck Patent GmbH (DE) 2014-08-20 EP disclosed
WO-2013053422-A1 BENZODIOXEPIN-3-ONE COMPOUNDS AS DYES OR AS FLUORESCENT EMITTERS MERCK PATENT GMBH (DE) 2013-04-18 WO disclosed
EP-1909913-A1 METHOD FOR QUICKLY CONCEALING THE ROOTS OF HAIR THAT HAVE GROWN AFTER THE HAIR HAS BEEN DYED HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-04-16 EP disclosed
EP-1871486-A1 OXIDATION DYES COMPRISING PERSULFATES AND/OR PEROXODISULFATES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-01-02 EP disclosed
EP-1868688-A2 OXIDATION DYES COMPRISING 2-FURANONES AND COLLAGEN (DERIVATIVES) HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-12-26 EP disclosed
EP-1761312-A1 AGENTS FOR DYING KERATIN FIBERS Henkel Kommanditgesellschaft auf Aktien (DE) 2007-03-14 EP disclosed
WO-2007017048-A1 METHOD FOR QUICKLY CONCEALING THE ROOTS OF HAIR THAT HAVE GROWN AFTER THE HAIR HAS BEEN DYED HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-02-15 WO disclosed
WO-2007006418-A1 IONIC-LIQUID-CONTAINING PRODUCTS FOR DYEING AND/OR BRIGHTENING KERATIN FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-01-18 WO disclosed
WO-2006111255-A1 PASTE-LIKE HAIR TREATMENT AGENT COMPRISING CYCLIC CARBOXYLATE ESTERS AND SILICATES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-10-26 WO disclosed
WO-2006108505-A2 OXIDATION DYES COMPRISING 2-FURANONES AND COLLAGEN (DERIVATIVES) HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-10-19 WO disclosed
WO-2006108504-A1 OXIDATION DYES COMPRISING PERSULFATES AND/OR PEROXODISULFATES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-10-19 WO disclosed
WO-2006045448-A1 BLEACHING AGENTS WITH SILYL CARBONATE(S) AND/OR SILYL CARBAMATE(S) HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-05-04 WO disclosed
WO-2006045454-A1 AGENT COMPRISING SILYL-CARBONATE OR -CARBAMATE FOR THE SIMULTANEOUS COLOURING AND BLEACHING OF FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-05-04 WO disclosed
WO-2005123017-A1 AGENTS FOR DYING KERATIN FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2005-12-29 WO disclosed
EP-1432428-A1 Agent for colouring fibres containing keratin Henkel Kommanditgesellschaft auf Aktien (DE) 2004-06-30 EP disclosed
WO-2003030842-A1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-04-17 WO disclosed