SCHEMBL28623116

SCHEMBL28623116

CCC(C)(C)OC(=O)N1CC(O)C(F)(F)C1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.33
NR1H2 P55055 1/20 0.33
PIK3CD O00329 1/20 0.33
NAMPT P43490 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
SCHEMBL16714648 0.84 NR1H2 (0.43) RORCNR1H2PIK3CD
SCHEMBL30718602 0.84 NR1H2 (0.43) RORCNR1H2PIK3CD
SCHEMBL17499855 0.84 NR1H2 (0.43) RORCNR1H2PIK3CD
Methane SCHEMBL28623117 0.83 NR1H2 (0.42) RORCNR1H2PIK3CD
SCHEMBL21892739 0.76 NR1H2 (0.42) NR1H2NAMPT
SCHEMBL17499915 0.73 POLB (0.47)
SCHEMBL23553438 0.73 NR1H2 (0.42) NR1H2NAMPT
SCHEMBL1855329 0.71 SMN1; SMN2 (0.46) NAMPT
SCHEMBL9893629 0.71 DPP4 (0.43) NR1H2
SCHEMBL24175984 0.71 DPP4 (0.43) NR1H2

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
CN-113395993-A Heterocyclic compounds and their use 武田药品工业株式会社 2021-09-14 CN disclosed