SCHEMBL6770202

SCHEMBL6770202

CCCCCCCCCN1C(=O)CC(C)(C)c2cc(C(=O)C=Cc3ccc(Br)cc3)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
RXRA P19793 2/20 0.41
MAPT P10636 4/20 0.41
MAOB P27338 2/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
RECQL P46063 1/20 0.41
KMT2A Q03164 1/20 0.41
TLR9 Q9NR96 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL6770199 1.00 HDAC1 (0.42) HDAC1HDAC6HDAC3HDAC4HDAC2
SCHEMBL6770031 0.92 RARB (0.45) HDAC1HDAC6HDAC3HDAC4HDAC2
SCHEMBL6771219 0.92 RARB (0.45) HDAC1HDAC6HDAC3HDAC4HDAC2
SCHEMBL6770027 0.92 RARB (0.45) HDAC1HDAC6HDAC3HDAC4HDAC2
SCHEMBL6771216 0.92 RARB (0.45) HDAC1HDAC6HDAC3HDAC4HDAC2
SCHEMBL4430921 0.92 RARB (0.45) HDAC1HDAC6HDAC3HDAC4HDAC2
SCHEMBL6765664 0.92 RARB (0.45) HDAC1HDAC6HDAC3HDAC4HDAC2
SCHEMBL6765666 0.92 RARB (0.45) HDAC1HDAC6HDAC3HDAC4HDAC2
SCHEMBL4424612 0.92 RARB (0.45) HDAC1HDAC6HDAC3HDAC4HDAC2
SCHEMBL17299700 0.89 HDAC1 (0.41) HDAC1HDAC6HDAC3HDAC4HDAC2

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-6683092-B1 BREAST AND/OR PROSTATE CANCER ALLERGAN, INC. 2004-01-27 US disclosed