SCHEMBL31725871

SCHEMBL31725871

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

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.57
CTSS P25774 7/20 0.57
PPARA Q07869 9/20 0.49
PPARG P37231 8/20 0.49
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
PPARD Q03181 2/20 0.47
ACE P12821 1/20 0.46
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
PTPN1 P18031 1/20 0.44

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
SCHEMBL31725971 0.89 CTSK (0.53) CTSKCTSSPPARAPPARGITGB3
SCHEMBL21663695 0.88 CTSS (0.63) CTSKCTSSPPARAPPARGITGB3
SCHEMBL27439690 0.88 ITGB3 (0.61) CTSKCTSSPPARAPPARGITGB3
SCHEMBL27439689 0.88 ITGB3 (0.61) CTSKCTSSPPARAPPARGITGB3
SCHEMBL31725707 0.86 CTSK (0.53) CTSKCTSSPPARAPPARGITGB3
SCHEMBL23705756 0.85 CTSK (0.58) CTSKCTSSPPARAPPARGITGB3
SCHEMBL3773563 0.85 CTSK (0.58) CTSKCTSSPPARAPPARGITGB3
SCHEMBL12305799 0.85 PPARA (0.62) CTSKCTSSPPARAPPARGITGB3
SCHEMBL12305804 0.85 CTSK (0.58) CTSKCTSSPPARAPPARGITGB3
SCHEMBL8316046 0.85 CTSK (0.58) CTSKCTSSPPARAPPARGITGB3

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