SCHEMBL454009

SCHEMBL454009

Cc1ccc(OCCN)cc1OCCN

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
TAAR1 Q96RJ0 1/20 0.45
LTA4H P09960 2/20 0.44
PLA2G2A P14555 1/20 0.44
CARM1 Q86X55 1/20 0.42
TSHR P16473 1/20 0.41
PDIA6 Q15084 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ESR1 P03372 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C19 P33261 1/20 0.40
PLAU P00749 1/20 0.39

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
SCHEMBL10458232 0.85 TSHR (0.45) KDM4ETSHRPDIA6SMN1; SMN2CYP1A2
SCHEMBL8091595 0.84 DRD2 (0.51) KDM4ETAAR1LTA4HPLA2G2ACARM1
SCHEMBL25526174 0.82 PTGS1 (0.46) KDM4ELTA4HTSHRCYP1A2CYP3A4
SCHEMBL18295348 0.82 TAAR1 (0.47) TAAR1LTA4HPLA2G2ACARM1PDIA6
SCHEMBL10717739 0.82 TSHR (0.46) KDM4ELTA4HTSHRESR1CYP1A2
SCHEMBL25823520 0.82 TSHR (0.59) KDM4ETAAR1TSHRSMN1; SMN2CYP1A2
Hydrochloric Acid SCHEMBL21595684 0.81 MRGPRX4 (0.46) KDM4ETAAR1LTA4HPLA2G2ACARM1
SCHEMBL1710102 0.81 INPPL1 (0.43) KDM4ETSHRPDIA6CYP1A2CYP3A4
SCHEMBL29819076 0.81 PARP10 (0.52)
SCHEMBL2202355 0.81 PARP10 (0.52)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0852135-B2 Oxidative dyeing composition for keratin fibres and dyeing method employing it OREAL (FR) 2008-03-19 EP claimed
WO-2007026313-A2 4-AMINOPHENOL DERIVATIVES AND COLORANTS COMPRISING THESE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2007-03-08 WO claimed
EP-2613760-A2 COMPOSITIONS FOR DYEING KERATIN FIBERS Segetis, Inc. (US) 2013-07-17 EP disclosed
WO-2012033813-A2 COMPOSITIONS FOR DYEING KERATIN FIBERS SEGETIS, INC. (US) 2012-03-15 WO disclosed
WO-2008102310-A1 DYES FOR KERATINIC FIBERS COMPRISING A SPECIAL ANIONIC THICKENER THE PROCTER & GAMBLE COMPANY (US) 2008-08-28 WO disclosed
EP-1919440-A2 AGENT FOR SIMULTANEOUS LIGHTENING AND COLORING OF KERATIN FIBRES CONTAINING A SULFAMATE BLEACH BOOSTER The Procter and Gamble Company (US) 2008-05-14 EP disclosed
EP-1888023-A1 COLORANTS FOR KERATIN FIBERS Wella Aktiengesellschaft (DE) 2008-02-20 EP disclosed
EP-1846361-A2 3-AMINO-2-AMINOMETHYLPHENOL DERIVATIVES AND COLORANTS COMPRISING THESE COMPOUNDS Wella Aktiengesellschaft (DE) 2007-10-24 EP disclosed
EP-1841507-A1 AGENTS FOR COLORING KERATIN FIBERS Wella Aktiengesellschaft (DE) 2007-10-10 EP disclosed
WO-2007093954-A1 DYE-CONTAINING PELLETS AND THEIR USE THE PROCTER & GAMBLE COMPANY (US) 2007-08-23 WO disclosed
WO-2007093943-A1 COLORING AGENTS FOR KERATIN FIBERS THE PROCTER & GAMBLE COMPANY (US) 2007-08-23 WO disclosed
WO-2007086031-A1 COLORANTS FOR KERATIN FIBERS THE PROCTER & GAMBLE COMPANY (US) 2007-08-02 WO disclosed
WO-2007026313-A2 4-AMINOPHENOL DERIVATIVES AND COLORANTS COMPRISING THESE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2007-03-08 WO disclosed
WO-2007026312-A1 1,3-DIAMINOBENZENE DERIVATIVES AND COLORANTS COMPRISING THESE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2007-03-08 WO disclosed
WO-2007026328-A2 AGENT FOR SIMULTANEOUS LIGHTENING AND COLORING OF KERATIN FIBRES CONTAINING A SULFAMATE BLEACH BOOSTER THE PROCTER & GAMBLE COMPANY (US) 2007-03-08 WO disclosed
WO-2007010463-A2 2-AMINO-5-AMINOMETHYL-PHENOL DERIVATIVES AND AGENT FOR COLORING KERATIN FIBERS COMPRISING THESE DERIVATIVES THE PROCTER & GAMBLE COMPANY (US) 2007-01-25 WO disclosed
WO-2006130373-A1 COLORANTS FOR KERATIN FIBERS THE PROCTER & GAMBLE COMPANY (US) 2006-12-07 WO disclosed
WO-2006086374-A2 3-AMINO-2-AMINOMETHYLPHENOL DERIVATIVES AND COLORANTS COMPRISING THESE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2006-08-17 WO disclosed
WO-2006081245-A1 AGENTS FOR COLORING KERATIN FIBERS THE PROCTER & GAMBLE COMPANY (US) 2006-08-03 WO disclosed