SCHEMBL30788752

SCHEMBL30788752

CC(C)(C)CCSCC[C@H](NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.49
CTSS P25774 5/20 0.49
PPARA Q07869 10/20 0.46
PPARG P37231 9/20 0.46
PPARD Q03181 2/20 0.44
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
TSHR P16473 1/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
GRN P28799 1/20 0.40
SORT1 Q99523 1/20 0.40

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
SCHEMBL30788883 0.87 CTSK (0.45) CTSKCTSSPPARAPPARGCYP1A2
SCHEMBL31407478 0.86 CTSK (0.50) CTSKCTSSPPARAPPARGPPARD
SCHEMBL2703149 0.86 CTSK (0.50) CTSKCTSSPPARAPPARGPPARD
SCHEMBL26822676 0.86 CTSK (0.50) CTSKCTSSPPARAPPARGPPARD
SCHEMBL10832738 0.86 CTSK (0.49) CTSKCTSSPPARAPPARGPPARD
SCHEMBL10832745 0.86 CTSK (0.49) CTSKCTSSPPARAPPARGPPARD
SCHEMBL880686 0.85 PPARA (0.57) CTSKCTSSPPARAPPARGPPARD
SCHEMBL5848718 0.85 CTSK (0.51) CTSKCTSSPPARAPPARGPPARD
SCHEMBL2118282 0.85 CTSK (0.56) CTSKCTSSPPARAPPARGPPARD
SCHEMBL2118283 0.85 CTSK (0.56) CTSKCTSSPPARAPPARGPPARD

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