SCHEMBL1411295

SCHEMBL1411295

O=C(C=Cc1cccc(C(=O)N[C@](C(=O)O)(c2ccccc2)C2CCCC2)c1)NO

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 16/20 0.55
HDAC3 O15379 11/20 0.55
HDAC4 P56524 12/20 0.50
HDAC8 Q9BY41 11/20 0.50
HDAC6 Q9UBN7 11/20 0.50
HDAC2 Q92769 10/20 0.50
HDAC7 Q8WUI4 9/20 0.50
HDAC9 Q9UKV0 9/20 0.50
HDAC5 Q9UQL6 9/20 0.50
HDAC10 Q969S8 8/20 0.50
HDAC11 Q96DB2 8/20 0.50
MEF2D Q14814 2/20 0.41
BRD4 O60885 1/20 0.40
ESR1 P03372 1/20 0.40
PTGS1 P23219 1/20 0.40
PDE4A P27815 1/20 0.40
PIK3CA P42336 1/20 0.40
HTR6 P50406 1/20 0.40
PDE4D Q08499 1/20 0.40
ASPH Q12797 1/20 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
SCHEMBL1411293 1.00 HDAC1 (0.55) HDAC1HDAC3HDAC4HDAC8HDAC6
SCHEMBL1410770 0.84 HDAC1 (0.58) HDAC1HDAC3HDAC4HDAC8HDAC6
SCHEMBL1410766 0.84 HDAC1 (0.58) HDAC1HDAC3HDAC4HDAC8HDAC6
SCHEMBL1410811 0.81 HDAC4 (0.55) HDAC1HDAC3HDAC4HDAC8HDAC6
SCHEMBL1410813 0.81 HDAC4 (0.55) HDAC1HDAC3HDAC4HDAC8HDAC6
SCHEMBL1411154 0.80 HDAC1 (0.56) HDAC1HDAC3HDAC4HDAC8HDAC6
SCHEMBL1411155 0.80 HDAC1 (0.56) HDAC1HDAC3HDAC4HDAC8HDAC6
SCHEMBL1410552 0.76 HDAC1 (0.54) HDAC1HDAC3HDAC4HDAC8HDAC6
SCHEMBL1410554 0.76 HDAC1 (0.54) HDAC1HDAC3HDAC4HDAC8HDAC6
SCHEMBL1411342 0.76 HDAC1 (0.54) HDAC1HDAC3HDAC4HDAC8HDAC6

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