SCHEMBL6624366

SCHEMBL6624366

O=C(O)CCCC(=O)c1c(F)ccc(F)c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 3/20 0.43
▸ HDAC4 P56524 3/20 0.43
▸ HDAC1 Q13547 3/20 0.43
▸ HDAC7 Q8WUI4 3/20 0.43
▸ HDAC2 Q92769 3/20 0.43
▸ HDAC10 Q969S8 3/20 0.43
▸ HDAC11 Q96DB2 3/20 0.43
▸ HDAC8 Q9BY41 3/20 0.43
▸ HDAC6 Q9UBN7 3/20 0.43
▸ HDAC9 Q9UKV0 3/20 0.43
▸ HDAC5 Q9UQL6 3/20 0.43
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ PDE4B Q07343 1/20 0.41
▸ SLC22A6 Q4U2R8 1/20 0.41
▸ FFAR4 Q5NUL3 1/20 0.38
▸ CES2 O00748 2/20 0.38
▸ CES1 P23141 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ POLB P06746 1/20 0.38

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
SCHEMBL7503214 0.82 HDAC3 (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6623875 0.81 CES2 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7505997 0.79 HDAC3 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6627888 0.76 NPC1 (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
Valeric Acid SCHEMBL29010103 0.73 AKR1B1 (0.52) HDAC11SLC22A6FFAR4ALDH1A1TSHR
SCHEMBL6383722 0.72 PTPN1 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29009960 0.72 HDAC3 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6629691 0.72 HDAC3 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29010008 0.72 FFAR4 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL31661689 0.71 CES2 (0.53) 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
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