SCHEMBL19865327

SCHEMBL19865327

CS(=O)(=O)c1ccc(OCC2CC(F)(F)C2)c2c1C(=O)C(F)(F)O2

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EPAS1 Q99814 3/20 0.35
▸ ARNT P27540 1/20 0.35
▸ PTGS1 P23219 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ BRD4 O60885 3/20 0.32
▸ FFAR2 O15552 1/20 0.32
▸ RORC P51449 1/20 0.31
▸ SCN9A Q15858 2/20 0.31
▸ ACACB O00763 1/20 0.30

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
SCHEMBL19865278 0.83 EPAS1 (0.34) EPAS1
SCHEMBL19865230 0.77 EPAS1 (0.43) EPAS1ARNT
SCHEMBL19865246 0.73 ARNT (0.34) EPAS1ARNTRORCSCN9A
SCHEMBL19865445 0.71 EPAS1 (0.49) EPAS1PTGS1PTGS2
SCHEMBL19865196 0.71 CCR2 (0.33) EPAS1PTGS2
SCHEMBL19865297 0.70 EPAS1 (0.40) EPAS1
SCHEMBL19870930 0.70 EPAS1 (0.53) EPAS1ARNT
SCHEMBL19865338 0.70 EPAS1 (0.33) EPAS1
SCHEMBL19865425 0.68 EPAS1 (0.65) EPAS1ARNT
SCHEMBL18048412 0.62 EPAS1 (0.34) EPAS1

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-2018031680-A1 NOVEL COMPOUNDS, USES AND METHODS FOR THEIR PREPARATION FRONTHERA U.S. PHARMACEUTICALS LLC (US) 2018-02-15 — — WO disclosed
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