SCHEMBL6561295

SCHEMBL6561295

CCOC(OCC)c1cccc[n+]1CC

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
STAT3 P40763 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 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
SCHEMBL5327172 0.76 KDM4E (0.38) KDM4ENPC1RAB9ASMN1; SMN2MEN1
SCHEMBL12624393 0.73 TSHR (0.39) KDM4ENPC1RAB9ASMN1; SMN2MEN1
SCHEMBL11430745 0.67 KDM4E (0.37) KDM4EL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL28308153 0.66 KDM4E (0.42) KDM4ENPC1RAB9ASMN1; SMN2MEN1
SCHEMBL27191 0.65 ACHE (0.47) KDM4EL3MBTL1SMN1; SMN2HTTPOLB
SCHEMBL627705 0.65
SCHEMBL29822577 0.65
SCHEMBL6560156 0.64 CYP2D6 (0.44) KDM4ENPC1RAB9ASMN1; SMN2MEN1
SCHEMBL6558857 0.63 ACHE (0.37) NPC1RAB9ASMN1; SMN2MEN1MAPT
SCHEMBL1325535 0.63

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