SCHEMBL30120123

SCHEMBL30120123

CC(C)(C)OC(=O)N1CCC=C(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
STS P08842 7/20 0.36
ESR2 Q92731 1/20 0.35
PDK4 Q16654 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GPR119 Q8TDV5 3/20 0.34
NR1H2 P55055 1/20 0.34
MAPT P10636 1/20 0.34
F13A1 P00488 1/20 0.34
TGM2 P21980 1/20 0.34
HTR6 P50406 1/20 0.33
RORC P51449 1/20 0.33

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
SCHEMBL4281295 0.90 PDK4 (0.42) STSESR2PDK4GPR119NR1H2
SCHEMBL3434214 0.87 STS (0.39) STSESR2PDK4CA12CA1
SCHEMBL23442704 0.83 PDK4 (0.39) STSPDK4GPR119MAPTHTR6
SCHEMBL19979152 0.81 GPR119 (0.42) STSESR2PDK4CA12CA1
SCHEMBL30273556 0.79 MEN1 (0.43) PDK4CA1CA2CA9SMN1; SMN2
SCHEMBL30595934 0.77 NR1H2 (0.32) STSNR1H2
SCHEMBL3664972 0.76 CA1 (0.33) CA1CA2
SCHEMBL1439920 0.76 ESR2 (0.39) STSESR2USP2SMN1; SMN2GPR119
SCHEMBL212403 0.76 PDK4 (0.46) STSESR2PDK4GPR119NR1H2
SCHEMBL30120197 0.76 GPR119 (0.37) STSUSP2SMN1; SMN2GPR119RORC

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-4351583-A1 THERAPEUTICS FOR THE DEGRADATION OF MUTANT BRAF C4 Therapeutics, Inc. (US) 2024-04-17 EP disclosed
WO-2022261250-A1 THERAPEUTICS FOR THE DEGRADATION OF MUTANT BRAF C4 THERAPEUTICS, INC. (US) 2022-12-15 WO disclosed