SCHEMBL6560169

SCHEMBL6560169

CCOC(C=Cc1cc[n+](C)cc1)OCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHAT P28329 7/20 0.46
RAB9A P51151 4/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
ALPG P10696 1/20 0.40
THRB P10828 1/20 0.40
HTT P42858 1/20 0.40
GFER P55789 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HDAC8 Q9BY41 1/20 0.39
GLA P06280 1/20 0.38
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38

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
SCHEMBL3276111 0.79 MEN1 (0.51) RAB9AMEN1KMT2A
SCHEMBL8740782 0.79 MEN1 (0.51) RAB9AMEN1KMT2A
SCHEMBL1256630 0.75 CYP3A4 (0.50) RAB9AALDH1A1KDM4EHPGDCYP2C19
SCHEMBL1256631 0.75 CYP3A4 (0.50) RAB9AALDH1A1KDM4EHPGDCYP2C19
SCHEMBL5389069 0.74 APP (0.48) RAB9AALDH1A1KDM4EMEN1KMT2A
SCHEMBL5389072 0.74 APP (0.48) RAB9AALDH1A1KDM4EMEN1KMT2A
SCHEMBL5379784 0.72 ALDH1A1 (0.50) RAB9AALDH1A1KDM4EHPGDCYP2C19
SCHEMBL5379781 0.72 ALDH1A1 (0.50) RAB9AALDH1A1KDM4EHPGDCYP2C19
SCHEMBL12519753 0.71 CHAT (0.80) CHATRAB9AALDH1A1KDM4EHPGD
SCHEMBL10001242 0.71 CHAT (0.80) CHATRAB9AALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1432394-A1 AGENT FOR COLORING KERATIN FIBERS Henkel Kommanditgesellschaft auf Aktien (DE) 2004-06-30 EP claimed
WO-2003030846-A1 AGENT FOR COLORING KERATIN FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-04-17 WO claimed
EP-1432394-A1 AGENT FOR COLORING KERATIN FIBERS Henkel Kommanditgesellschaft auf Aktien (DE) 2004-06-30 EP disclosed
WO-2003030846-A1 AGENT FOR COLORING KERATIN FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-04-17 WO disclosed