SCHEMBL4625207

SCHEMBL4625207

O=C(CC(=O)c1cccnc1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 3/20 1.00
ALDH1A1 P00352 4/20 0.69
CYP3A4 P08684 2/20 0.69
HPGD P15428 2/20 0.69
PLOD3 O60568 2/20 0.69
PLOD1 Q02809 2/20 0.69
CYP1A2 P05177 1/20 0.69
CYP2D6 P10635 1/20 0.69
CYP2C9 P11712 1/20 0.69
CYP2C19 P33261 1/20 0.69
HIF1A Q16665 1/20 0.69
L3MBTL1 Q9Y468 1/20 0.66
KMT2A Q03164 4/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
MEN1 O00255 3/20 0.65
TDP1 Q9NUW8 2/20 0.65
KDM4E B2RXH2 1/20 0.65
MAPT P10636 1/20 0.65
ALOX15 P16050 1/20 0.65
CES1 P23141 1/20 0.65

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
SCHEMBL30440488 1.00 PLOD2 (1.00) PLOD2ALDH1A1CYP3A4HPGDPLOD3
SCHEMBL29554726 0.94 PLOD2 (0.89) PLOD2ALDH1A1CYP3A4HPGDPLOD3
SCHEMBL10320930 0.94 PLOD2 (0.89) PLOD2ALDH1A1CYP3A4HPGDPLOD3
SCHEMBL2694778 0.89 PLOD2 (0.79) PLOD2ALDH1A1CYP3A4HPGDPLOD3
SCHEMBL9199313 0.89 PLOD2 (0.79) PLOD2ALDH1A1CYP3A4HPGDPLOD3
SCHEMBL15395342 0.86 PLOD2 (0.75) PLOD2ALDH1A1CYP3A4HPGDPLOD3
SCHEMBL15395592 0.86 PLOD2 (0.75) PLOD2ALDH1A1CYP3A4HPGDPLOD3
SCHEMBL14110105 0.84 PLOD2 (0.72) PLOD2ALDH1A1CYP3A4HPGDPLOD3
SCHEMBL4805518 0.83 PLOD2 (0.71) PLOD2ALDH1A1CYP3A4HPGDPLOD3
SCHEMBL10578324 0.83 ALDH1A1 (0.83) PLOD2ALDH1A1PLOD3PLOD1HIF1A

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1432388-B1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN HENKEL AG & CO KGAA (DE) 2008-06-18 EP claimed
EP-1432428-B1 Agent for colouring fibres containing keratin HENKEL KGAA (DE) 2006-11-02 EP claimed
EP-1585489-A2 AGENT FOR DYEING FIBRES CONTAINING KERATIN Henkel Kommanditgesellschaft auf Aktien (DE) 2005-10-19 EP claimed
EP-1575539-A1 DYE TABLETS Henkel Kommanditgesellschaft auf Aktien (DE) 2005-09-21 EP claimed
WO-2004058203-A2 AGENT FOR DYEING FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (US) 2004-07-15 WO claimed
WO-2004058202-A1 DYE TABLETS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-07-15 WO claimed
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-1300132-A2 Agent for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2003-04-09 EP claimed
US-20020131939-A1 Hair protection compositions ROCHE VITAMINS INC. 2002-09-19 US claimed
CN-116217395-A Preparation method of beta-carbonyl compound 黄淮学院 2023-06-06 CN disclosed
CN-105073757-B Dyeing process using a hair-dyeing precursor obtained from an iridoid, composition, precursor and device comprising such a precursor 莱雅公司 2019-12-17 CN disclosed
EP-2978767-B1 DYEING METHOD USING A HAIR-DYEING PRECURSOR OBTAINED FROM IRIDOIDS, COMPOSITION, PRECURSOR AND DEVICE INCLUDING SAME OREAL (FR) 2018-10-03 EP disclosed
EP-2978749-A1 OPTIONALLY PROTECTED IRIDOID-DERIVED COMPOUNDS, COMPOSITION INCLUDING SAME, USE AS A DYE FOR KERATIN FIBRES AND DEVICES L'Oréal (FR) 2016-02-03 EP disclosed
WO-2014154957-A1 DYEING METHOD USING A HAIR-DYEING PRECURSOR OBTAINED FROM IRIDOIDS, COMPOSITION, PRECURSOR AND DEVICE INCLUDING SAME L'OREAL (FR) 2014-10-02 WO disclosed
WO-2002055029-A2 HAIR PROTECTION COMPOSITIONS ROCHE VITAMINS AG (CH) 2002-07-18 WO disclosed
EP-0998256-A1 USE OF DI- AND OLIGOACYLAROMATS FOR COLOURING FIBRES CONTAINING KERATIN Henkel Kommanditgesellschaft auf Aktien (DE) 2000-05-10 EP disclosed
WO-1999004754-A1 USE OF DI- AND OLIGOACYLAROMATS FOR COLOURING FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1999-02-04 WO disclosed
US-4284621-A SUNSCREEN FOR SKIN BAYER AKTIENGESELLSCHAFT (DE) 1981-08-18 US disclosed
US-3984438-A INSECTICIDES AND FIRE RETARDANTS HOOKER CHEMICALS & PLASTICS CORPORATION (US) 1976-10-05 US disclosed