SCHEMBL1410952

SCHEMBL1410952

O=C(C=Cc1ccc(CN[C@H](C(=O)O)c2ccccc2)cn1)NO

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 16/20 0.53
▸ HDAC1 Q13547 16/20 0.53
▸ HDAC8 Q9BY41 15/20 0.53
▸ HDAC4 P56524 14/20 0.53
▸ HDAC6 Q9UBN7 14/20 0.53
▸ HDAC2 Q92769 11/20 0.53
▸ HDAC7 Q8WUI4 9/20 0.53
▸ HDAC10 Q969S8 9/20 0.53
▸ HDAC11 Q96DB2 9/20 0.53
▸ HDAC9 Q9UKV0 9/20 0.53
▸ HDAC5 Q9UQL6 9/20 0.53
▸ MEP1B Q16820 2/20 0.40

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
SCHEMBL1410951 1.00 HDAC3 (0.53) HDAC3HDAC1HDAC8HDAC4HDAC6
SCHEMBL19712525 1.00 HDAC3 (0.53) HDAC3HDAC1HDAC8HDAC4HDAC6
SCHEMBL1410846 0.84 HDAC2 (0.64) HDAC3HDAC1HDAC8HDAC4HDAC6
SCHEMBL1411061 0.84 HDAC2 (0.64) HDAC3HDAC1HDAC8HDAC4HDAC6
SCHEMBL1411057 0.84 HDAC2 (0.64) HDAC3HDAC1HDAC8HDAC4HDAC6
SCHEMBL19712547 0.84 HDAC2 (0.64) HDAC3HDAC1HDAC8HDAC4HDAC6
SCHEMBL1410848 0.84 HDAC2 (0.64) HDAC3HDAC1HDAC8HDAC4HDAC6
SCHEMBL1410602 0.78 HDAC3 (0.45) HDAC3HDAC1HDAC8HDAC4HDAC6
SCHEMBL1410595 0.78 HDAC3 (0.45) HDAC3HDAC1HDAC8HDAC4HDAC6
SCHEMBL19712541 0.78 HDAC4 (0.65) HDAC3HDAC1HDAC8HDAC4HDAC6

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
EP-2295410-A1 HDAC inhibitor Chroma Therapeutics Limited (GB) 2011-03-16 — — EP disclosed
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