SCHEMBL10952964

SCHEMBL10952964

O=C(O)CCCCC(=O)c1cccc(Cl)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.62
HDAC4 P56524 1/20 0.62
HDAC1 Q13547 1/20 0.62
HDAC7 Q8WUI4 1/20 0.62
HDAC2 Q92769 1/20 0.62
HDAC10 Q969S8 1/20 0.62
HDAC11 Q96DB2 1/20 0.62
HDAC8 Q9BY41 1/20 0.62
HDAC6 Q9UBN7 1/20 0.62
HDAC9 Q9UKV0 1/20 0.62
HDAC5 Q9UQL6 1/20 0.62
ERCC5 P28715 1/20 0.58
FEN1 P39748 1/20 0.58
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.53
LMNA P02545 2/20 0.53
MAPT P10636 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
PARP1 P09874 1/20 0.50

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
SCHEMBL7396571 0.89 KMT2A (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5660410 0.86 ERCC5 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17410088 0.86 ERCC5 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5535619 0.85 ERCC5 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL634225 0.85 ALDH1A1 (0.56) ERCC5FEN1MEN1KMT2AMAPT
SCHEMBL7388254 0.85 ERCC5 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10788655 0.85 PARP1 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7388180 0.85 ERCC5 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11703262 0.84 ERCC5 (0.56) ERCC5FEN1MEN1KMT2AL3MBTL1
SCHEMBL5546398 0.83 ERCC5 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2

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-4536346-A TREATMENT OF ATHEROSCLEROSIS AMERICAN CYANAMID COMPANY (US) 1985-08-20 US disclosed