SCHEMBL1411202

SCHEMBL1411202

O=C(C=Cc1ccc(CN[C@](C(=O)O)(C2CCCCC2)C2CCCC2)cn1)NO

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 19/20 0.45
HDAC3 O15379 16/20 0.45
HDAC8 Q9BY41 16/20 0.45
HDAC6 Q9UBN7 15/20 0.45
HDAC4 P56524 14/20 0.45
HDAC5 Q9UQL6 11/20 0.45
HDAC2 Q92769 12/20 0.42
HDAC7 Q8WUI4 9/20 0.42
HDAC10 Q969S8 9/20 0.42
HDAC11 Q96DB2 9/20 0.42
HDAC9 Q9UKV0 9/20 0.42
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM1A O60341 1/20 0.35
MAOA P21397 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL1411198 1.00 HDAC1 (0.45) HDAC1HDAC3HDAC8HDAC6HDAC4
SCHEMBL1410528 0.92 HDAC1 (0.42) HDAC1HDAC3HDAC8HDAC6HDAC4
SCHEMBL1410517 0.92 HDAC1 (0.42) HDAC1HDAC3HDAC8HDAC6HDAC4
SCHEMBL1410954 0.89 HDAC1 (0.38) HDAC1HDAC3HDAC8HDAC6HDAC4
SCHEMBL1410959 0.89 HDAC1 (0.38) HDAC1HDAC3HDAC8HDAC6HDAC4
SCHEMBL1410830 0.85 HDAC1 (0.61) HDAC1HDAC3HDAC8HDAC6HDAC4
SCHEMBL1410368 0.85 HDAC1 (0.61) HDAC1HDAC3HDAC8HDAC6HDAC4
SCHEMBL1410833 0.85 HDAC1 (0.61) HDAC1HDAC3HDAC8HDAC6HDAC4
SCHEMBL1410373 0.85 HDAC1 (0.61) HDAC1HDAC3HDAC8HDAC6HDAC4
SCHEMBL1411159 0.84 HDAC1 (0.44) HDAC1HDAC3HDAC8HDAC6HDAC4

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