SCHEMBL6629691

SCHEMBL6629691

O=C(O)CCCC(=O)c1cc(F)c(F)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.48
HDAC4 P56524 2/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC7 Q8WUI4 2/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC10 Q969S8 2/20 0.48
HDAC11 Q96DB2 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
HDAC9 Q9UKV0 2/20 0.48
HDAC5 Q9UQL6 2/20 0.48
CES2 O00748 2/20 0.48
CES1 P23141 2/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
PDE4B Q07343 1/20 0.46
SLC22A6 Q4U2R8 1/20 0.42
LMNA P02545 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL20703168 0.88 CES2 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL31252366 0.84 HDAC1 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2707258 0.81 CES2 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5080184 0.78 HDAC3 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6359903 0.78 HDAC6 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10005512 0.77 NR4A2 (0.44) HDAC6CES2CES1RAB9ALMNA
SCHEMBL9735515 0.75 HDAC3 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL24264807 0.74 SMN1; SMN2 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6626651 0.74 SLC22A6 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL296337 0.74 NPC1 (0.84) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0858996-B1 NERVE CELL PROTECTIVE AGENTS MOCHIDA PHARM CO LTD (JP) 2004-10-27 EP disclosed
US-6040331-A Nerve cell protective agents MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-03-21 US disclosed
EP-0858996-A1 NERVE CELL PROTECTIVE AGENTS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1998-08-19 EP disclosed