SCHEMBL7751695

SCHEMBL7751695

CC(C)(C)CCCC(=O)Nc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 14/20 0.60
HDAC1 Q13547 14/20 0.60
HDAC11 Q96DB2 14/20 0.60
HDAC8 Q9BY41 14/20 0.60
HDAC6 Q9UBN7 14/20 0.60
HDAC5 Q9UQL6 14/20 0.60
HDAC7 Q8WUI4 13/20 0.60
HDAC9 Q9UKV0 13/20 0.60
HDAC3 O15379 13/20 0.60
HDAC2 Q92769 13/20 0.60
HDAC10 Q969S8 13/20 0.60
NCOR1 O75376 2/20 0.60
CYP3A4 P08684 2/20 0.60
KDM4E B2RXH2 1/20 0.60
BRD4 O60885 1/20 0.60
NR1I2 O75469 1/20 0.60
EGFR P00533 1/20 0.60
LTA4H P09960 1/20 0.60
NR0B1 P51843 1/20 0.60
PLK1 P53350 1/20 0.60

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
SCHEMBL3924472 0.95 HDAC1 (0.63) HDAC4HDAC1HDAC11HDAC8HDAC6
SCHEMBL3915921 0.93 HDAC1 (0.66) HDAC4HDAC1HDAC11HDAC8HDAC6
SCHEMBL3914086 0.93 HDAC1 (0.66) HDAC4HDAC1HDAC11HDAC8HDAC6
SCHEMBL9157833 0.89 MAPT (0.60) HDAC4HDAC1HDAC11HDAC8HDAC6
SCHEMBL23543523 0.85 HDAC1 (0.55) HDAC4HDAC1HDAC11HDAC8HDAC6
SCHEMBL10571283 0.84 CYP3A4 (0.51) HDAC4HDAC1HDAC11HDAC8HDAC6
SCHEMBL5368440 0.83 HDAC3 (0.62) HDAC1HDAC6HDAC3HDAC2KDM4E
SCHEMBL11923469 0.83 HDAC3 (0.62) HDAC4HDAC1HDAC11HDAC8HDAC6
SCHEMBL6296181 0.83 HDAC4 (0.75) HDAC4HDAC1HDAC11HDAC8HDAC6
SCHEMBL517309 0.83 HDAC4 (0.81) HDAC4HDAC1HDAC11HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1068185-A1 COMPOUNDS WITH ACTIVITY ON MUSCARINIC RECEPTORS Acadia Pharmaceuticals Inc. (US) 2001-01-17 EP disclosed
WO-1999050247-A1 COMPOUNDS WITH ACTIVITY ON MUSCARINIC RECEPTORS ACADIA PHARMACEUTICALS, INC. (US) 1999-10-07 WO disclosed