SCHEMBL30788872

SCHEMBL30788872

COC(=O)[C@H](CCSCCc1cnccn1)NC(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.39
CTSS P25774 2/20 0.39
KDM4E B2RXH2 2/20 0.38
EPHX2 P34913 1/20 0.38
GLS O94925 1/20 0.37
REN P00797 1/20 0.37
GSTP1 P09211 1/20 0.36
GSTM2 P28161 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
KLK7 P49862 1/20 0.36
KMT2A Q03164 1/20 0.36
CA2 P00918 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
P2RY2 P41231 1/20 0.35
PPARG P37231 2/20 0.35

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
SCHEMBL28362820 0.84 NLRP3 (0.44) CTSKCTSSRENGSTP1GSTM2
SCHEMBL21946219 0.84 NLRP3 (0.44) CTSKCTSSRENGSTP1GSTM2
SCHEMBL29657321 0.84 NLRP3 (0.44) CTSKCTSSRENGSTP1GSTM2
SCHEMBL30788761 0.81 CTSK (0.35) CTSKCTSSRENGSTP1GSTM2
SCHEMBL3980233 0.77 REN (0.36) CTSKCTSSRENGSTP1GSTM2
SCHEMBL3980235 0.77 REN (0.36) CTSKCTSSRENGSTP1GSTM2
SCHEMBL6095308 0.76 ITGB3 (0.47) CTSKCTSSRENCYP3A4PPARG
SCHEMBL21879135 0.76 ITGB3 (0.47) CTSKCTSSRENCYP3A4PPARG
SCHEMBL20502152 0.76 ITGB3 (0.47) CTSKCTSSRENCYP3A4PPARG
SCHEMBL30788866 0.75 PPARA (0.53) CTSKCTSSKDM4EALDH1A1MAPT

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