SCHEMBL5268545

SCHEMBL5268545

Nc1ccc(OCCO)c(N)c1OCCO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.41
ALDH1A1 P00352 3/20 0.36
RECQL P46063 1/20 0.36
TUBB1 Q9H4B7 1/20 0.36
PRSS1 P07477 8/20 0.36
LOX P28300 1/20 0.36
AOC3 Q16853 1/20 0.36
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
POLB P06746 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
USP2 O75604 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
CASP1 P29466 1/20 0.33
HTT P42858 1/20 0.33
CASP7 P55210 1/20 0.33
ATM Q13315 1/20 0.33
HPGD P15428 1/20 0.32

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
SCHEMBL9792987 0.91 TUBB1 (0.38) TUBB1PRSS1LOXAOC3
Hydrochloric Acid SCHEMBL9793053 0.89 LOX (0.40) ALDH1A1TUBB1PRSS1LOXAOC3
SCHEMBL8527585 0.81 IDO1 (0.39) IDO1ALDH1A1RECQLTUBB1PRSS1
SCHEMBL181247 0.79 IDO1 (0.40) IDO1ALDH1A1RECQLTUBB1PRSS1
SCHEMBL21753752 0.78 IDO1 (0.39) IDO1ALDH1A1RECQLTUBB1PRSS1
SCHEMBL10424242 0.78 CYP1A2 (0.49) ALDH1A1KDM4EMEN1POLBMAPT
SCHEMBL10629740 0.77 ALDH1A1 (0.48) IDO1ALDH1A1RECQLLOXAOC3
SCHEMBL307639 0.77 CYP1A2 (0.43) IDO1ALDH1A1RECQLLOXAOC3
SCHEMBL11768488 0.77 IDO1 (0.41) IDO1ALDH1A1RECQLTUBB1PRSS1
SCHEMBL5782237 0.75 ALDH1A1 (0.46) IDO1ALDH1A1RECQLKDM4EMEN1

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
EP-1841507-A1 AGENTS FOR COLORING KERATIN FIBERS Wella Aktiengesellschaft (DE) 2007-10-10 EP disclosed
WO-2006081245-A1 AGENTS FOR COLORING KERATIN FIBERS THE PROCTER & GAMBLE COMPANY (US) 2006-08-03 WO disclosed