SCHEMBL9337361

SCHEMBL9337361

COC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)c1cccc(NC(=O)c2ccc(C#N)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
CTSG P08311 1/20 0.39
CMA1 P23946 1/20 0.39
USP30 Q70CQ3 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
TACR1 P25103 1/20 0.37
PLAU P00749 1/20 0.36
CTNNB1 P35222 1/20 0.36
PSMB8 P28062 1/20 0.36
PSMB5 P28074 1/20 0.36

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
SCHEMBL9867660 0.90 CTSS (0.49) CTSSCTSKUSP30CTNNB1
SCHEMBL9867667 0.90 CTSS (0.49) CTSSCTSKUSP30CTNNB1
SCHEMBL9866632 0.90 ITGB3 (0.42) CTSSCTSKTACR1PLAU
Iodide SCHEMBL9866617 0.89 ITGB3 (0.41) CTSSCTSKTACR1PLAU
SCHEMBL9335977 0.88 KMT2A (0.43) CTSGCMA1MEN1NPC1RAB9A
SCHEMBL9865704 0.84 CTSK (0.44) CTSSCTSKTACR1
SCHEMBL9337488 0.84 ITGB3 (0.47) CTSSCTSKPLAUCTNNB1
SCHEMBL9335862 0.82 CTSS (0.45) CTSSCTSKTACR1PSMB8PSMB5
SCHEMBL9337444 0.80 CTSS (0.44) CTSSCTSKPLAUCTNNB1PSMB8
Iodide SCHEMBL9866746 0.80 CTSS (0.44) CTSSCTSKPLAUCTNNB1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5008275-A Fungicides BAYER AKTIENGESELLSCHAFT (DE) 1991-04-16 US claimed
EP-0372486-B1 Benzoic-acid phenylacetic-acid derivatives, their preparation and their use as medicines HOFFMANN LA ROCHE (CH) 1994-06-01 EP disclosed
US-5039805-A Novel benzoic and phenylacetic acid derivatives HOFFMANN-LA ROCHE INC. (US) 1991-08-13 US disclosed
EP-0372486-A2 Benzoic-acid phenylacetic-acid derivatives, their preparation and their use as medicines F. HOFFMANN-LA ROCHE AG (CH) 1990-06-13 EP disclosed