SCHEMBL21586611

SCHEMBL21586611

CC(C)[C@@H]1NC(=O)C2(C)CSC(=N2)c2csc(n2)CNC(=O)CC(/C=C/CCCl)OC1=O

nearest known ligand 0.86

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 20/20 0.86
▸ HDAC1 Q13547 19/20 0.86
▸ HDAC2 Q92769 19/20 0.86
▸ HDAC6 Q9UBN7 15/20 0.86
▸ HDAC8 Q9BY41 12/20 0.86
▸ NCOR2 Q9Y618 9/20 0.86
▸ HDAC10 Q969S8 7/20 0.86
▸ HDAC11 Q96DB2 3/20 0.86
▸ UBA1 P22314 1/20 0.73
▸ HDAC4 P56524 1/20 0.73
▸ HDAC9 Q9UKV0 1/20 0.73
▸ HDAC7 Q8WUI4 1/20 0.66

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
SCHEMBL19022542 1.00 HDAC3 (0.86) HDAC3HDAC1HDAC2HDAC6HDAC8
SCHEMBL17305526 1.00 HDAC3 (0.86) HDAC3HDAC1HDAC2HDAC6HDAC8
SCHEMBL22810153 1.00 HDAC3 (0.86) HDAC3HDAC1HDAC2HDAC6HDAC8
SCHEMBL19047320 1.00 HDAC3 (0.86) HDAC3HDAC1HDAC2HDAC6HDAC8
SCHEMBL12611184 0.93 HDAC3 (0.88) HDAC3HDAC1HDAC2HDAC6HDAC8
SCHEMBL12651856 0.93 HDAC3 (0.88) HDAC3HDAC1HDAC2HDAC6HDAC8
SCHEMBL10315069 0.93 HDAC3 (0.86) HDAC3HDAC1HDAC2HDAC6HDAC8
Largazole Thiol SCHEMBL15195503 0.93 HDAC3 (1.00) HDAC3HDAC1HDAC2HDAC6HDAC8
SCHEMBL12610998 0.93 HDAC3 (0.86) HDAC3HDAC1HDAC2HDAC6HDAC8
Largazole Thiol SCHEMBL7994520 0.93 HDAC3 (1.00) HDAC3HDAC1HDAC2HDAC6HDAC8

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 2 patents. 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
EP-3578179-A1 PROCESS FOR THE PREPARATION OF CYCLIC DEPSIPEPTIDES Onkure, Inc. (US) 2019-12-11 — — EP disclosed
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