SCHEMBL22810232

SCHEMBL22810232

CCCCCCCC(=O)SCC/C=C/C1CC(=O)NCc2nc(cs2)C2=N[C@@](C)(CS2)C(=O)NCC(=O)O1

nearest known ligand 0.81

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 19/20 0.81
HDAC3 O15379 16/20 0.81
HDAC2 Q92769 14/20 0.81
HDAC6 Q9UBN7 8/20 0.81
HDAC4 P56524 6/20 0.81
NCOR2 Q9Y618 6/20 0.81
HDAC8 Q9BY41 6/20 0.81
HDAC10 Q969S8 6/20 0.81
HDAC9 Q9UKV0 2/20 0.81
UBA1 P22314 1/20 0.81
HDAC11 Q96DB2 2/20 0.62

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
SCHEMBL15171313 1.00 HDAC1 (0.81) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL19114158 1.00 HDAC1 (0.81) HDAC1HDAC3HDAC2HDAC6HDAC4
Largazole SCHEMBL2611945 0.90 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC6HDAC4
Largazole SCHEMBL14973971 0.90 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC6HDAC4
Largazole SCHEMBL91139 0.90 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC6HDAC4
Largazole SCHEMBL23760411 0.90 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC6HDAC4
Largazole SCHEMBL23760414 0.90 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC6HDAC4
Largazole SCHEMBL2611944 0.90 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC6HDAC4
Largazole SCHEMBL71330 0.90 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC6HDAC4
Largazole SCHEMBL10314988 0.90 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC6HDAC4

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-3578179-B1 PROCESS FOR THE PREPARATION OF CYCLIC DEPSIPEPTIDES ONKURE INC (US) 2020-12-23 EP disclosed