SCHEMBL31725971

SCHEMBL31725971

C#Cc1ccc(CC[C@H](NC(=O)OC(C)(C)C)C(=O)OC)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.53
CTSS P25774 7/20 0.53
KLK5 Q9Y337 1/20 0.42
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CA2 P00918 1/20 0.41
PPARA Q07869 6/20 0.41
PPARG P37231 5/20 0.41
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
GSTP1 P09211 1/20 0.40
GSTM2 P28161 1/20 0.40
PPARD Q03181 2/20 0.39

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
SCHEMBL31725871 0.89 CTSK (0.57) CTSKCTSSCTSLCTSBPPARA
SCHEMBL15727346 0.85 CTSK (0.54) CTSKCTSSKLK5CA2PPARA
SCHEMBL19033717 0.85 CTSK (0.54) CTSKCTSSKLK5CA2PPARA
SCHEMBL10081604 0.85 CTSS (0.56) CTSKCTSSKLK5CTSLCTSB
SCHEMBL16183228 0.85 KLK5 (0.51) CTSKCTSSKLK5CTSLCTSB
SCHEMBL3719517 0.84 CTSK (0.53) CTSKCTSSKLK5CTSLCA2
SCHEMBL31341247 0.84 CTSK (0.55) CTSKCTSSKLK5CA2PPARA
SCHEMBL3719522 0.84 CTSK (0.53) CTSKCTSSKLK5CTSLCA2
SCHEMBL6344320 0.84 CTSK (0.68) CTSKCTSSKLK5CTSLCTSB
SCHEMBL12560624 0.84 CTSK (0.68) CTSKCTSSKLK5CTSLCTSB

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-2025235719-A1 DIMERIC SMAC MIMETICS USEFUL IN HIV THERAPY VIIV HEALTHCARE COMPANY (US) 2025-11-13 WO disclosed