SCHEMBL31228403

SCHEMBL31228403

CC(C)(C)OC(=O)N[C@@H](CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.49
PPARG P37231 4/20 0.49
ACE P12821 1/20 0.48
PPARD Q03181 2/20 0.47
IDO1 P14902 1/20 0.46
CTSK P43235 7/20 0.46
CTSS P25774 4/20 0.46
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
PTPN1 P18031 1/20 0.44
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
ITGAV P06756 1/20 0.43
ITGB6 P18564 1/20 0.43

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
SCHEMBL31306238 1.00 PPARA (0.49) PPARAPPARGACEPPARDIDO1
SCHEMBL955905 0.93 ALDH1A1 (0.48) PPARAPPARGACEPPARDIDO1
SCHEMBL28821322 0.93 ALDH1A1 (0.48) PPARAPPARGACEPPARDIDO1
SCHEMBL955903 0.93 ALDH1A1 (0.48) PPARAPPARGACEPPARDIDO1
SCHEMBL20562065 0.92 ALDH1A1 (0.50) PPARAPPARGACEPPARDIDO1
SCHEMBL20562067 0.92 ALDH1A1 (0.50) PPARAPPARGACEPPARDIDO1
SCHEMBL31526993 0.91 KLK5 (0.46) PPARAPPARGACEPPARDCTSK
SCHEMBL13643256 0.88 CTSK (0.44) PPARAPPARGACEPPARDCTSK
SCHEMBL20974785 0.88 PPARA (0.57) PPARAPPARGACEPPARDIDO1
SCHEMBL15448116 0.88 PPARA (0.57) PPARAPPARGACEPPARDIDO1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4688789-A1 MACROCYCLIC RAS INHIBITORS Revolution Medicines, Inc. (US) 2026-02-11 EP disclosed
WO-2025076523-A1 RAS INHIBITORS AND METHODS OF USE THEREOF KESTREL THERAPEUTICS, INC. (US) 2025-04-10 WO disclosed
WO-2024211663-A9 MACROCYCLIC RAS INHIBITORS Revolution Medicines, Inc. (US) 2025-01-30 WO disclosed
WO-2024211663-A1 CONDENSED MACROCYCLIC COMPOUNDS AS RAS INHIBITORS Revolution Medicines, Inc. (US) 2024-10-10 WO disclosed