SCHEMBL9479702

SCHEMBL9479702

CCN1CCc2cc(OC)c(OC)cc21

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.47
MAOB P27338 2/20 0.47
SLC6A4 P31645 1/20 0.47
ABCB1 P08183 1/20 0.45
MAPT P10636 2/20 0.43
TSHR P16473 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
PDE4D Q08499 3/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KCNN2 Q9H2S1 3/20 0.42
KCNN3 Q9UGI6 3/20 0.42
CYP3A4 P08684 1/20 0.42
KCNN1 Q92952 1/20 0.42
CA7 P43166 1/20 0.41

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
SCHEMBL27580531 0.87 POLB (0.37) MAOAMAOBSLC6A4ABCB1HDAC1
SCHEMBL9480009 0.83 ABCB1 (0.55) MAOAMAOBSLC6A4ABCB1MAPT
Bromide SCHEMBL27344472 0.82 ABCB1 (0.54) MAOAMAOBSLC6A4ABCB1MAPT
SCHEMBL9491572 0.80 MAOA (0.42) MAOAMAOBSLC6A4ABCB1HDAC1
SCHEMBL12718802 0.76 HRH3 (0.51) HDAC1HDAC6
SCHEMBL22049279 0.76 MEN1 (0.59) MAOAMAOBSLC6A4ABCB1MAPT
SCHEMBL12656336 0.74 HTR2A (0.49) HDAC1HDAC6CYP3A4
SCHEMBL107921 0.74 NOTUM (0.40) MAOA
SCHEMBL29803467 0.74 NOTUM (0.40) MAOA
SCHEMBL27204446 0.74 CHRNB4 (0.45) MAOAMAOBSLC6A4HDAC1HDAC6

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