SCHEMBL8977166

SCHEMBL8977166

Nc1ccc(O)c(CN(CCO)CCO)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.65
ACHE P22303 3/20 0.62
POLB P06746 3/20 0.43
CA2 P00918 2/20 0.41
CA1 P00915 1/20 0.41
PDE10A Q9Y233 1/20 0.41
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPK1 P28482 3/20 0.39
MAPT P10636 3/20 0.39
HTT P42858 2/20 0.39
MEN1 O00255 2/20 0.39
THRB P10828 2/20 0.39
RECQL P46063 2/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
APEX1 P27695 1/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 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
SCHEMBL9583201 0.89 PRKCI (0.51) PRKCIACHEPOLBCA2CA1
Hydrochloric Acid SCHEMBL9582748 0.87 ACHE (0.53) PRKCIACHEPOLBCA2CA1
SCHEMBL6272154 0.86 PRKCI (0.47) PRKCIACHEPOLBKDM4EALDH1A1
Hydrochloric Acid SCHEMBL6273900 0.85 ACHE (0.49) PRKCIACHEPOLBCA2KDM4E
SCHEMBL28837441 0.83 PRKCI (0.73) PRKCIACHEPOLBCA2CA1
SCHEMBL7598124 0.79 SMN1; SMN2 (0.48) PRKCIACHEKDM4EALDH1A1MAPK1
SCHEMBL111109 0.78 PRKCI (1.00) PRKCIACHEPOLBCA2CA1
SCHEMBL29565648 0.78 PRKCI (1.00) PRKCIACHEPOLBCA2CA1
SCHEMBL146272 0.78 PRKCI (0.55) PRKCIACHECA2CA1PDE10A
SCHEMBL33926 0.77 PRKCI (0.59) PRKCIACHECA2CA1PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5500218-A UNIFORMLY APPLYING A PROTECTIVE COMPOSITION TO SKIN, DYEING THEN RINSING HAIR TO REMOVE DYE AND PROTECTIVE COMPOSITION WELLA AKTIENGESELLSCHAFT (DE) 1996-03-19 US disclosed
EP-0583436-B1 USE OF A PREPARATION TO PREVENT SKIN COLORATION WHEN DYEING HAIR, NEW SKIN PROTECTING AGENTS AND HAIR DYEING PROCESS WELLA AG (DE) 1995-11-29 EP disclosed
US-4797130-A DYE DEVELOPERS GOOD FOR RED COLORING WELLA AKTIENGESELLSCHAFT (DE) 1989-01-10 US disclosed