SCHEMBL3266441

SCHEMBL3266441

Cc1ccc(NCCO)cc1NCCO

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
HTT P42858 3/20 0.43
CYP3A4 P08684 2/20 0.43
TSHR P16473 1/20 0.43
RECQL P46063 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
POLB P06746 1/20 0.42
MMP14 P50281 1/20 0.42
BLM P54132 1/20 0.42
CASP6 P55212 1/20 0.42
BRD4 O60885 1/20 0.41
MAPT P10636 5/20 0.41
CYP2C19 P33261 2/20 0.41
GAA P10253 2/20 0.39
MAPK1 P28482 1/20 0.39
SLC2A1 P11166 1/20 0.39
KDM4E B2RXH2 2/20 0.39
GUCY1A1 Q02108 1/20 0.39
GUCY1B1 Q02153 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
SCHEMBL4808783 0.89 ALDH1A1 (0.57) ALDH1A1HTTCYP3A4TSHRRECQL
SCHEMBL10476380 0.85 ALDH1A1 (0.56) ALDH1A1HTTCYP3A4TSHRMEN1
SCHEMBL4466255 0.84 ALDH1A1 (0.76) ALDH1A1HTTCYP3A4TSHRMEN1
SCHEMBL11415285 0.83 KMT2A (0.51) ALDH1A1HTTMEN1KMT2APOLB
SCHEMBL11509090 0.82 ALDH1A1 (0.49) ALDH1A1HTTCYP3A4TSHRRECQL
SCHEMBL11474259 0.82 GUCY1A1 (0.54) ALDH1A1HTTCYP3A4TSHRRECQL
SCHEMBL29428385 0.81 ALDH1A1 (0.56) ALDH1A1HTTCYP3A4TSHRMEN1
SCHEMBL459121 0.81 CYP3A4 (0.67) ALDH1A1HTTCYP3A4TSHRRECQL
SCHEMBL95129 0.81 ALDH1A1 (0.56) ALDH1A1HTTCYP3A4TSHRMEN1
SCHEMBL11812352 0.81 ALDH1A1 (0.51) ALDH1A1HTTMEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1769788-B1 Process for the photoprotective treatment of artificially dyed keratin fibres by application of a liquid water/steam mixture OREAL (FR) 2010-06-09 EP disclosed
EP-1836193-A1 UNSYMMETRICAL DIAZO COMPOUNDS, COMPOSITIONS COMPRISING SAME, DYEING METHOD AND DEVICE COMPRISING SAID COMPOSITIONS L'Oréal (FR) 2007-09-26 EP disclosed
EP-1769788-A1 Process for the photoprotective treatment of artificially dyed keratin fibres by application of a liquid water/steam mixture L'Oréal (FR) 2007-04-04 EP disclosed
WO-2006063866-A1 UNSYMMETRICAL DIAZO COMPOUNDS, COMPOSITIONS COMPRISING SAME, DYEING METHOD AND DEVICE COMPRISING SAID COMPOSITIONS L'ORÉAL (FR) 2006-06-22 WO disclosed
US-20040122782-A1 Process for determining the composition of a dye product L'OREAL (FR) 2004-06-24 US disclosed