SCHEMBL24785384

SCHEMBL24785384

CCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCCC1)C(=O)OC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PSMB5 P28074 4/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ USP30 Q70CQ3 5/20 0.52
▸ ATM Q13315 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ CACNA1B Q00975 1/20 0.50
▸ MEN1 O00255 1/20 0.49
▸ REN P00797 1/20 0.49

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
SCHEMBL30291613 0.81 MMP1 (0.53) REN
SCHEMBL27041646 0.80 CTSK (0.60) REN
SCHEMBL27041650 0.80 CTSK (0.60) REN
SCHEMBL24832472 0.80 L3MBTL1 (0.53) PSMB5L3MBTL1USP30KMT2AMEN1
SCHEMBL10946955 0.78 REN (0.57) PSMB5ATMCACNA1BREN
SCHEMBL10668564 0.78 KMT2A (0.59) PSMB5ATMKMT2AMEN1
SCHEMBL28768595 0.77 CTSS (0.56) ATMKMT2AMEN1REN
SCHEMBL29651392 0.77 CTSS (0.56) ATMKMT2AMEN1REN
SCHEMBL28768596 0.77 CTSS (0.56) ATMKMT2AMEN1REN
SCHEMBL28269239 0.77 CTSS (0.56) ATMKMT2AMEN1REN

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
WO-2022265577-A2 CORONAVIRUS ENZYME MODULATORS, METHODS OF SYNTHESIS AND USES THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2022-12-22 — — WO disclosed
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