SCHEMBL31385282

SCHEMBL31385282

CC(C)C(OC(=O)[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)OC(C)(C)C)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.45
PPARG P37231 4/20 0.43
CTSS P25774 5/20 0.43
CTSK P43235 6/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
KLK5 Q9Y337 2/20 0.41
KLK7 P49862 1/20 0.41
ACE P12821 1/20 0.40
PPARD Q03181 2/20 0.39
MMP13 P45452 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
SCHEMBL3753366 0.88 KLK5 (0.47) PPARAPPARGCTSSCTSKCTSL
SCHEMBL3753362 0.88 KLK5 (0.47) PPARAPPARGCTSSCTSKCTSL
SCHEMBL25361007 0.88 KLK5 (0.47) PPARAPPARGCTSSCTSKCTSL
SCHEMBL7851771 0.86 PPARA (0.43) PPARAPPARGCTSSCTSKCTSL
SCHEMBL28684646 0.85 CYP1A2 (0.46) PPARAPPARGCTSSCTSKCTSL
SCHEMBL28684647 0.85 CYP1A2 (0.46) PPARAPPARGCTSSCTSKCTSL
SCHEMBL17291652 0.85 PPARA (0.57) PPARAPPARGCTSSCTSKCTSL
SCHEMBL20974785 0.85 PPARA (0.57) PPARAPPARGCTSSCTSKCTSL
SCHEMBL15448116 0.85 PPARA (0.57) PPARAPPARGCTSSCTSKCTSL
SCHEMBL31385404 0.83 PPARA (0.46) PPARAPPARGCTSSCTSKCTSL

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-2025038747-A1 MODIFIED THIOSTREPTON-INSPIRED COMPOUNDS FOR TREATMENT OF CANCER AND PREPARATION THEREOF RS ONCOLOGY, LLC (US) 2025-02-20 WO disclosed