SCHEMBL13408044

SCHEMBL13408044

O=C(CCCCCCCCCCNC(=O)c1ccc(C(=O)c2ccccc2)cc1)ON1C(=O)CCC1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 10/20 0.50
▸ HDAC3 O15379 5/20 0.50
▸ HDAC4 P56524 5/20 0.50
▸ HDAC1 Q13547 5/20 0.50
▸ HDAC7 Q8WUI4 5/20 0.50
▸ HDAC2 Q92769 5/20 0.50
▸ HDAC10 Q969S8 5/20 0.50
▸ HDAC11 Q96DB2 5/20 0.50
▸ HDAC8 Q9BY41 5/20 0.50
▸ HDAC9 Q9UKV0 5/20 0.50
▸ HDAC5 Q9UQL6 5/20 0.50
▸ MAPK1 P28482 1/20 0.49
▸ NAMPT P43490 2/20 0.47
▸ NAAA Q02083 1/20 0.47
▸ HTT P42858 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ PRSS1 P07477 1/20 0.45
▸ CTSG P08311 1/20 0.45
▸ CTRB1 P17538 1/20 0.45
▸ CMA1 P23946 1/20 0.45

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
SCHEMBL15177514 0.86 L3MBTL1 (0.54) HDAC3HDAC1HDAC2HDAC8MAPK1
SCHEMBL19662527 0.85 MAPK1 (0.46) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL19662526 0.83 MAPK1 (0.44) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL15177515 0.80 HPGD (0.51) HDAC3NAMPTALDH1A1DRD2
SCHEMBL5492139 0.79 SMN1; SMN2 (0.38) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL5172973 0.78 HDAC1 (0.47) HDAC6HDAC3HDAC1MAPK1NAMPT
SCHEMBL2102802 0.78 HPGD (0.54) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL13316693 0.78 DUT (0.42) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL8371252 0.78 GAA (0.46) HTTALDH1A1PRSS1CTSGCTRB1
SCHEMBL3081575 0.77 MAPK1 (0.81) HDAC6HDAC3HDAC4HDAC1HDAC7

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-7691787-B2 Target molecule attachment to surfaces SURMODICS, INC. (US) 2010-04-06 — — US disclosed
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