SCHEMBL9491572

SCHEMBL9491572

C=CCN1CCc2cc(OC)c(OC)cc21

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
SLC6A4 P31645 1/20 0.42
PDE4D Q08499 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
DRD1 P21728 3/20 0.39
DRD5 P21918 3/20 0.39
DRD2 P14416 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KCNN2 Q9H2S1 2/20 0.38
KCNN3 Q9UGI6 2/20 0.38
ABCB1 P08183 1/20 0.38
KCNN1 Q92952 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
SCHEMBL9479702 0.80 MAOA (0.47) MAOAMAOBSLC6A4PDE4DHDAC1
SCHEMBL11158010 0.79 L3MBTL1 (0.54) MAOAMAOBSLC6A4PDE4DL3MBTL1
SCHEMBL9489218 0.76 DRD1 (0.43) MAOADRD1DRD5DRD2
SCHEMBL9480009 0.75 ABCB1 (0.55) MAOAMAOBSLC6A4GAASMN1; SMN2
Methane SCHEMBL27318872 0.74 DRD1 (0.42) MAOADRD1DRD5DRD2
Bromide SCHEMBL27344472 0.74 ABCB1 (0.54) MAOAMAOBSLC6A4GAASMN1; SMN2
SCHEMBL3344732 0.74 PDE4D (0.41) MAOAMAOBSLC6A4PDE4DL3MBTL1
SCHEMBL22049279 0.71 MEN1 (0.59) MAOAMAOBSLC6A4PDE4DDRD1
SCHEMBL10816704 0.71 HSD17B10 (0.51) HDAC1HDAC6DRD1DRD5DRD2
SCHEMBL30903189 0.70 DRD4 (0.39) PDE4DDRD1DRD5DRD2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5178637-A Hair dyes L'OREAL (FR) 1993-01-12 US disclosed