SCHEMBL8665708

SCHEMBL8665708

COCCNc1ccc(OC)c(N)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.47
ALDH1A1 P00352 5/20 0.46
CYP3A4 P08684 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 2/20 0.45
NPC1 O15118 1/20 0.45
ESR1 P03372 1/20 0.45
TP53 P04637 1/20 0.45
RAB9A P51151 1/20 0.45
ESR2 Q92731 1/20 0.45
MAPT P10636 5/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
THRB P10828 1/20 0.44
USP2 O75604 1/20 0.44
PTGER4 P35408 2/20 0.42
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KCNH3 Q9ULD8 1/20 0.40

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
SCHEMBL36033 0.83 GAA (0.47) GAAALDH1A1CYP3A4SMN1; SMN2KDM4E
SCHEMBL29358077 0.83 GAA (0.47) GAAALDH1A1CYP3A4SMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL28434861 0.82 ALDH1A1 (0.47) GAAALDH1A1CYP3A4SMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL6573892 0.82 ALDH1A1 (0.47) GAAALDH1A1CYP3A4SMN1; SMN2KDM4E
SCHEMBL8484813 0.81 GAA (0.52) GAAALDH1A1CYP3A4SMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL8665041 0.80 ALDH1A1 (0.49) GAAALDH1A1CYP3A4SMN1; SMN2KDM4E
SCHEMBL6574960 0.79 DHFR (0.38) GAAALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL6573435 0.79 MAPT (0.42) GAAALDH1A1CYP3A4KDM4EMAPT
SCHEMBL8770011 0.79 GAA (0.46) GAAALDH1A1CYP3A4SMN1; SMN2KDM4E
SCHEMBL6573021 0.78 ALDH1A1 (0.40) ALDH1A1CYP3A4SMN1; SMN2KDM4ERAB9A

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
EP-0795313-A2 Agent and process for oxidative dyeing of keratin fibres Wella Aktiengesellschaft (DE) 1997-09-17 EP claimed
US-5849041-A Oxidation hair dye composition and method of dyeing hair using same WELLA AKTIENGESELLSCHAFT (DE) 1998-12-15 US disclosed
EP-0795313-A2 Agent and process for oxidative dyeing of keratin fibres Wella Aktiengesellschaft (DE) 1997-09-17 EP disclosed