SCHEMBL5162262

SCHEMBL5162262

Nc1ccc(O)c(OCCCOc2cc(N)ccc2O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
PDE10A Q9Y233 1/20 0.45
GAA P10253 5/20 0.44
MAPT P10636 4/20 0.44
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
CASP1 P29466 3/20 0.44
MEN1 O00255 2/20 0.44
CASP7 P55210 2/20 0.44
KMT2A Q03164 2/20 0.44
HTT P42858 2/20 0.44
USP2 O75604 1/20 0.44
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.44
ATM Q13315 1/20 0.44
JAK2 O60674 1/20 0.43
LMNA P02545 1/20 0.43
PRSS1 P07477 3/20 0.42
PRKCI P41743 1/20 0.41

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
SCHEMBL11701198 0.88 KDM4E (0.51) PDE10AGAAMAPTALDH1A1KDM4E
SCHEMBL128536 0.88 IDO1 (0.50) CA1CA2PDE10AGAAMAPT
SCHEMBL6249238 0.88 GAA (0.45) CA1CA2PDE10AGAAMAPT
SCHEMBL6251622 0.88 GAA (0.45) CA1CA2PDE10AGAAMAPT
SCHEMBL29669930 0.88 IDO1 (0.50) CA1CA2PDE10AGAAMAPT
SCHEMBL27577886 0.87 SMPD1 (0.56) GAAMAPTALDH1A1KDM4ECASP1
SCHEMBL11697103 0.86 GAA (0.62) CA1CA2PDE10AGAAMAPT
SCHEMBL808653 0.85 SMPD1 (0.58) GAAMAPTALDH1A1KDM4ECASP1
SCHEMBL20776810 0.81 APP (0.51) CA1CA2PDE10AGAAMAPT
SCHEMBL12284828 0.81 CA1 (0.43) CA1CA2PDE10AGAAMAPT

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-1568354-A1 Oxidative dyeing composition Henkel KGaA (DE) 2005-08-31 EP claimed
EP-1292272-B1 OXIDATION DYE FOR HAIR HENKEL KGAA (DE) 2007-03-07 EP disclosed
EP-1568354-A1 Oxidative dyeing composition Henkel KGaA (DE) 2005-08-31 EP disclosed
US-6635241-B1 Applying aminophenol derivative to keratinous fiber as primary intermediate, oxidizing to color fiber HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-10-21 US disclosed
EP-0883598-B1 USE OF AMINOPHENOL DERIVATIVES IN OXIDATIVE HAIR DYES HENKEL KGAA (DE) 2003-08-20 EP disclosed