SCHEMBL31725709

SCHEMBL31725709

COC(=O)[C@H](Cc1ccc(O)c(C)c1C)NC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 2/20 0.46
▸ KLK5 Q9Y337 1/20 0.46
▸ FNTA P49354 2/20 0.43
▸ FNTB P49356 2/20 0.43
▸ SCN9A Q15858 1/20 0.42
▸ CTSS P25774 7/20 0.42
▸ CTSK P43235 6/20 0.42
▸ CTSL P07711 3/20 0.41
▸ CTSB P07858 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ LCK P06239 1/20 0.39
▸ ACE P12821 1/20 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
SCHEMBL27213605 0.84 TACR1 (0.49) TACR1KLK5SCN9ACTSSCTSK
SCHEMBL30825594 0.84 TACR1 (0.49) TACR1KLK5SCN9ACTSSCTSK
SCHEMBL15804392 0.83 TACR1 (0.54) TACR1KLK5SCN9ACTSSCTSK
SCHEMBL31725814 0.83 TACR1 (0.54) TACR1KLK5SCN9ACTSSCTSK
SCHEMBL15792307 0.83 TACR1 (0.54) TACR1KLK5SCN9ACTSSCTSK
SCHEMBL15807614 0.83 TACR1 (0.54) TACR1KLK5SCN9ACTSSCTSK
SCHEMBL24309187 0.82 TACR1 (0.55) TACR1KLK5SCN9ACTSSCTSK
SCHEMBL2584054 0.82 TACR1 (0.55) TACR1KLK5SCN9ACTSSCTSK
SCHEMBL7842742 0.82 TACR1 (0.55) TACR1KLK5SCN9ACTSSCTSK
SCHEMBL29478098 0.82 TACR1 (0.55) TACR1KLK5SCN9ACTSSCTSK

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
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