SCHEMBL31526435

SCHEMBL31526435

CC(C)(C)OC(=O)N[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]1[C@@H](CO)C1(C)C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.40
▸ PPARA Q07869 5/20 0.39
▸ PPARG P37231 4/20 0.37
▸ CTSS P25774 6/20 0.37
▸ CTSK P43235 6/20 0.37
▸ CTSL P07711 1/20 0.37
▸ CTSB P07858 1/20 0.37
▸ ATM Q13315 1/20 0.36
▸ ACE P12821 1/20 0.36
▸ PPARD Q03181 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 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
SCHEMBL7842461 0.80 ATM (0.46) PPARAPPARGCTSSCTSKCTSL
SCHEMBL30133471 0.80 ATM (0.46) PPARAPPARGCTSSCTSKCTSL
SCHEMBL5548155 0.80 ATM (0.46) PPARAPPARGCTSSCTSKCTSL
SCHEMBL20830130 0.78 PPARA (0.37) IDO1PPARAPPARGCTSSCTSK
SCHEMBL20974785 0.78 PPARA (0.57) IDO1PPARAPPARGCTSSCTSK
SCHEMBL17291652 0.78 PPARA (0.57) IDO1PPARAPPARGCTSSCTSK
SCHEMBL15448116 0.78 PPARA (0.57) IDO1PPARAPPARGCTSSCTSK
SCHEMBL10080538 0.77 ATM (0.46) PPARAPPARGCTSSCTSKCTSL
SCHEMBL5220048 0.76 ATM (0.45) PPARAPPARGCTSSCTSKCTSL
SCHEMBL31232348 0.76 ATM (0.45) 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-2025076235-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-04-10 — — WO disclosed
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