SCHEMBL27418109

SCHEMBL27418109

CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ncc(-c3cccc(C(F)(F)F)c3)o2)C1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 11/20 0.56
▸ HDAC6 Q9UBN7 3/20 0.51
▸ HDAC4 P56524 3/20 0.51
▸ HDAC1 Q13547 1/20 0.49
▸ RIPK1 Q13546 2/20 0.47
▸ PARP1 P09874 1/20 0.45
▸ SYK P43405 1/20 0.45
▸ SCN9A Q15858 1/20 0.44

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
SCHEMBL25675527 0.88 USP30 (0.58) USP30HDAC6HDAC4HDAC1RIPK1
SCHEMBL30370293 0.88 HDAC1 (0.54) USP30HDAC6HDAC1RIPK1
SCHEMBL24073261 0.84 HDAC1 (0.49) USP30HDAC6HDAC1
SCHEMBL30370264 0.84 HDAC1 (0.49) USP30HDAC6HDAC1
SCHEMBL25676690 0.81 USP30 (0.54) USP30HDAC6HDAC1
SCHEMBL31017667 0.81 USP30 (0.54) USP30HDAC6HDAC1
SCHEMBL30474057 0.81 HDAC1 (0.47) USP30HDAC6HDAC1RIPK1
SCHEMBL24072831 0.81 HDAC1 (0.47) USP30HDAC6HDAC1RIPK1
SCHEMBL24073669 0.81 HDAC1 (0.47) USP30HDAC6HDAC1RIPK1
SCHEMBL24073645 0.80 HDAC1 (0.47) USP30HDAC6HDAC1

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-4157834-B1 N-(1-CYANO-PYRROLIDIN-3-YL)-5-(3-(TRIFLUOROMETHYL)PHENYL)OXAZOLE-2-CARBOXAMIDE DERIVATIVES AND THE CORRESPONDING OXADIAZOLE DERIVATIVES AS USP30 INHIBITORS FOR THE TREATMENT OF MITOCHONDRIAL DYSFUNCTION MISSION THERAPEUTICS LTD (GB) 2024-07-03 — — EP disclosed
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