SCHEMBL31060320

SCHEMBL31060320

CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](/C=C/S(C)(=O)=O)CC(C)C

nearest known ligand 0.84

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 6/20 0.84
CASP3 P42574 6/20 0.72
CASP1 P29466 2/20 0.64
CASP9 P55211 2/20 0.64
CASP4 P49662 1/20 0.64
CASP5 P51878 1/20 0.64
CASP6 P55212 1/20 0.64
CASP8 Q14790 1/20 0.64
CASP10 Q92851 1/20 0.64
CTSB P07858 5/20 0.61
CTSK P43235 4/20 0.61
CTSL P07711 2/20 0.56
CASP7 P55210 2/20 0.56
PSMB8 P28062 1/20 0.54
PSMB10 P40306 1/20 0.54
PSMB2 P49721 1/20 0.54

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
SCHEMBL30490629 0.88 PSMB5 (0.73) PSMB5CASP3CASP1CASP9CTSB
SCHEMBL19944919 0.85 CASP3 (0.70) PSMB5CASP3CASP1CASP9CASP4
SCHEMBL8259042 0.83 CTSL (0.70) PSMB5CASP3CASP1CASP9CTSB
SCHEMBL8260299 0.82 CTSL (0.71) PSMB5CASP3CTSBCTSLCASP7
SCHEMBL15926429 0.82 CTSB (0.65) PSMB5CASP3CTSBCTSKCTSL
SCHEMBL14148468 0.82 CTSB (0.65) PSMB5CASP3CTSBCTSKCTSL
SCHEMBL23644903 0.81 PSMB5 (0.63) PSMB5CASP3CASP1CASP9CASP4
SCHEMBL8260998 0.81 CTSL (0.69) PSMB5CASP3CASP1CASP9CTSB
SCHEMBL15462675 0.80 CASP3 (0.90) PSMB5CASP3CASP1CASP9CASP4
SCHEMBL22697479 0.80 CASP3 (0.63) PSMB5CASP3CTSBCTSKCTSL

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-4662319-A2 PERSONALIZED CRISPR PROFILING FOR CANCER Integrate Bioscience LLC (US) 2025-12-17 EP disclosed
WO-2024168301-A2 PERSONALIZED CRISPR PROFILING FOR CANCER FUNCTION ONCOLOGY, INC. (US) 2024-08-15 WO disclosed