SCHEMBL4854810

SCHEMBL4854810

COCC(C)O.COCCOCCO

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
TSHR P16473 2/20 0.43
MAPK1 P28482 2/20 0.43
HSD17B10 Q99714 1/20 0.41
THRB P10828 1/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 2/20 0.35

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
Di(Hydroxyethyl)Ether SCHEMBL17700980 0.93 TSHR (0.50) MEN1KMT2ATSHRMAPK1HSD17B10
SCHEMBL10414902 0.91 HSD17B10 (0.48) MEN1KMT2ATSHRMAPK1HSD17B10
Propylene Glycol SCHEMBL28304554 0.89 MEN1 (0.50) MEN1KMT2ATSHRMAPK1HSD17B10
Diethylene Glycol Monoethyl Ether SCHEMBL5202042 0.88 ALDH1A1 (0.56) MEN1KMT2ATSHRMAPK1HSD17B10
SCHEMBL28870350 0.86 MEN1 (0.52) MEN1KMT2ATSHRMAPK1HSD17B10
2-Methoxyethanol SCHEMBL819830 0.86 HSD17B10 (0.42) MEN1KMT2ATSHRMAPK1HSD17B10
SCHEMBL5830381 0.85 TDP1 (0.44) MEN1KMT2ATSHRMAPK1HSD17B10
SCHEMBL16468529 0.85 TDP1 (0.44) MEN1KMT2ATSHRMAPK1HSD17B10
SCHEMBL5831184 0.85 TDP1 (0.44) MEN1KMT2ATSHRMAPK1HSD17B10
SCHEMBL5830089 0.85 TDP1 (0.44) MEN1KMT2ATSHRMAPK1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7435268-B2 N-alkylhydroxylated secondary para-phenylenediamine compounds, composition for dyeing keratin fibers comprising the same, and dyeing processes using the composition L'OREAL S.A. (FR) 2008-10-14 US claimed
CN-105733293-A PORPHYRAZINE DYE, AND APPLICATION THEREFOR 日本化药株式会社 2016-07-06 CN disclosed