SCHEMBL7828372

SCHEMBL7828372

O=C(O)CCCCCC(=O)c1ccc(Br)cc1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 10/20 0.69
HDAC1 Q13547 9/20 0.69
HDAC3 O15379 3/20 0.69
HDAC4 P56524 3/20 0.69
HDAC7 Q8WUI4 3/20 0.69
HDAC2 Q92769 3/20 0.69
HDAC10 Q969S8 3/20 0.69
HDAC11 Q96DB2 3/20 0.69
HDAC6 Q9UBN7 3/20 0.69
HDAC9 Q9UKV0 3/20 0.69
HDAC5 Q9UQL6 3/20 0.69
L3MBTL1 Q9Y468 2/20 0.59
LMNA P02545 1/20 0.59
MAPT P10636 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
PDE4B Q07343 1/20 0.54
GSK3B P49841 2/20 0.53
HSD11B1 P28845 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
SCHEMBL3381070 1.00 HDAC8 (0.69) HDAC8HDAC1HDAC3HDAC4HDAC7
SCHEMBL6138764 0.98 HDAC1 (0.66) HDAC8HDAC1HDAC3HDAC4HDAC7
SCHEMBL3380464 0.95 HDAC8 (0.71) HDAC8HDAC1HDAC3HDAC4HDAC7
SCHEMBL100781 0.94 HDAC1 (0.61) HDAC8HDAC1HDAC3HDAC4HDAC7
SCHEMBL133319 0.90 HDAC1 (0.75) HDAC8HDAC1HDAC3HDAC4HDAC7
SCHEMBL7741993 0.86 HDAC8 (0.71) HDAC8HDAC1HDAC3HDAC4HDAC7
SCHEMBL100952 0.86 NR4A2 (0.65) HDAC8HDAC1HDAC3HDAC4HDAC7
SCHEMBL7907717 0.83 HSD17B3 (0.71) HDAC8HDAC1HDAC3HDAC2
SCHEMBL19253754 0.83 HDAC8 (0.67) HDAC8HDAC1HDAC3HDAC4HDAC7
SCHEMBL7789360 0.83 HSD17B3 (0.71) HDAC8HDAC1HDAC3HDAC2

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-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed