SCHEMBL31607495

SCHEMBL31607495

CC(C)[C@H](NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 6/20 0.60
▸ CTSB P07858 5/20 0.60
▸ REN P00797 2/20 0.59
▸ CASP1 P29466 1/20 0.57
▸ ECE1 P42892 3/20 0.57
▸ MME P08473 2/20 0.57
▸ CAPN1 P07384 1/20 0.56
▸ CASP3 P42574 1/20 0.55
▸ CASP7 P55210 1/20 0.55
▸ CTSD P07339 1/20 0.55
▸ CTSL P07711 1/20 0.54
▸ CTSS P25774 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
SCHEMBL25287172 0.93 ECE1 (0.61) CTSKCTSBECE1MMECAPN1
SCHEMBL3058668 0.93 ECE1 (0.61) CTSKCTSBECE1MMECAPN1
SCHEMBL9830575 0.93 CAPN1 (0.62) CTSKCTSBRENECE1MME
SCHEMBL1436898 0.93 CAPN1 (0.62) CTSKCTSBRENECE1MME
SCHEMBL6271137 0.90 CASP3 (0.64) CTSKCTSBRENCASP1ECE1
SCHEMBL4402534 0.90 CAPN1 (0.59) CTSKCTSBRENECE1MME
SCHEMBL4402523 0.90 CAPN1 (0.59) CTSKCTSBRENECE1MME
Carbon Dioxide SCHEMBL2254435 0.90 CTSK (0.60) CTSKCTSBRENECE1MME
SCHEMBL8585984 0.89 ECE1 (0.57) CTSKCTSBECE1MMECAPN1
SCHEMBL8612642 0.89 ECE1 (0.64) CTSKCTSBRENCASP1ECE1

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
CN-120091810-A Methods and highly bioavailable permeable compounds for treating viral diseases 基里尔·迪丹克 2025-06-03 — — CN disclosed
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