SCHEMBL30396703

SCHEMBL30396703

CC(=O)OC(C(=O)NC1CC1)[C@H](C[C@@H]1CCCNC1=O)NC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
GAA P10253 1/20 0.35
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
REN P00797 1/20 0.34
CTSS P25774 2/20 0.34
CTSK P43235 2/20 0.34

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
SCHEMBL26466628 0.94 CTSL (0.38) HDAC4HDAC1HDAC6CTSLCTSB
SCHEMBL30170256 0.94 CTSL (0.38) HDAC4HDAC1HDAC6CTSLCTSB
SCHEMBL31475423 0.93 HDAC4 (0.41) HDAC4HDAC1HDAC6CTSLCTSB
SCHEMBL29015510 0.88 HDAC4 (0.39) HDAC4HDAC1HDAC6CTSLCTSB
SCHEMBL29015511 0.88 HDAC4 (0.39) HDAC4HDAC1HDAC6CTSLCTSB
SCHEMBL24014373 0.84 CTSL (0.37) CTSLCTSB
SCHEMBL30396504 0.82 HDAC4 (0.35) HDAC4HDAC1HDAC6GAACTSS
SCHEMBL24190424 0.82 HDAC4 (0.35) HDAC4HDAC1HDAC6GAACTSS
SCHEMBL30170007 0.82 CTSL (0.40) CTSLCTSB
SCHEMBL24189733 0.81 GAA (0.36) HDAC4HDAC1HDAC6GAACTSS

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-4165037-A1 ANTI-VIRAL COMPOUNDS FOR TREATING CORONAVIRUS, PICORNAVIRUS, AND NOROVIRUS INFECTIONS Aligos Therapeutics, Inc. (US) 2023-04-19 EP disclosed