SCHEMBL30788955

SCHEMBL30788955

COC(=O)[C@H](CCSCCCc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.53
CTSS P25774 5/20 0.53
PPARA Q07869 4/20 0.51
PPARG P37231 3/20 0.51
KLK5 Q9Y337 1/20 0.49
KLK7 P49862 1/20 0.48
PPARD Q03181 2/20 0.47
CTSB P07858 2/20 0.47
CTSL P07711 1/20 0.47
CASP1 P29466 1/20 0.45
ACE P12821 1/20 0.45
PSEN1 P49768 2/20 0.44
PSEN2 P49810 2/20 0.44
APH1B Q8WW43 2/20 0.44
NCSTN Q92542 2/20 0.44
APH1A Q96BI3 2/20 0.44
PSENEN Q9NZ42 2/20 0.44
MMP1 P03956 1/20 0.44
MMP3 P08254 1/20 0.44
MMP9 P14780 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
SCHEMBL7300194 0.88 CTSK (0.60) CTSKCTSSPPARAPPARGKLK5
SCHEMBL23176824 0.86 CTSK (0.58) CTSKCTSSKLK5CTSBCTSL
SCHEMBL7032329 0.86 CTSK (0.68) CTSKCTSSPPARAPPARGKLK5
SCHEMBL12560624 0.86 CTSK (0.68) CTSKCTSSPPARAPPARGKLK5
SCHEMBL6344320 0.86 CTSK (0.68) CTSKCTSSPPARAPPARGKLK5
SCHEMBL30788980 0.85 CTSK (0.54) CTSKCTSSPPARAPPARGKLK5
SCHEMBL30788866 0.84 PPARA (0.53) CTSKCTSSPPARAPPARGKLK5
SCHEMBL8146699 0.83 PPARA (0.69) CTSKCTSSPPARAPPARGPPARD
SCHEMBL7541179 0.83 PPARA (0.54) CTSKCTSSPPARAPPARGKLK5
SCHEMBL7541173 0.83 PPARA (0.54) CTSKCTSSPPARAPPARGKLK5

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-4565228-A2 COMPOSITIONS AND METHODS FOR INDUCING FERROPTOSIS Kojin Therapeutics, Inc. (US) 2025-06-11 EP disclosed
WO-2024030960-A2 COMPOSITIONS AND METHODS FOR INDUCING FERROPTOSIS Kojin Therapeutics, Inc. (US) 2024-02-08 WO disclosed