SCHEMBL25825839

SCHEMBL25825839

CC(C)(C)OC(=O)N1CC2(Cc3ccc4c(CC(=O)O)noc4c3C2)C1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
SCD5 Q86SK9 1/20 0.38
CYP11B2 P19099 1/20 0.36
JAK2 O60674 5/20 0.35
JAK1 P23458 5/20 0.35
USP30 Q70CQ3 1/20 0.34
GPR119 Q8TDV5 4/20 0.34
PARP1 P09874 2/20 0.33
MAPT P10636 1/20 0.33
GPR183 P32249 1/20 0.32
NR1H2 P55055 1/20 0.32

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
SCHEMBL25825841 0.89 L3MBTL1 (0.37) SMN1; SMN2SCD5CYP11B2JAK2JAK1
SCHEMBL25825901 0.83 SMN1; SMN2 (0.44) SMN1; SMN2SCD5GPR119MAPTNR1H2
SCHEMBL25604354 0.81 SMN1; SMN2 (0.42) SMN1; SMN2SCD5JAK2JAK1GPR119
SCHEMBL25604198 0.80 ESR2 (0.46) SMN1; SMN2MAPTNR1H2
SCHEMBL25604262 0.80 ESR2 (0.46) SMN1; SMN2PARP1MAPTNR1H2
SCHEMBL25825842 0.75 DDB1 (0.49) SCD5GPR119
SCHEMBL25825902 0.72 L3MBTL1 (0.39) SMN1; SMN2GPR119NR1H2
SCHEMBL25604506 0.69 SMN1; SMN2 (0.44) SMN1; SMN2MAPT
SCHEMBL25825837 0.69 ESR2 (0.40) SCD5CYP11B2JAK2JAK1GPR119
SCHEMBL25604141 0.69 MAPT (0.46) SMN1; SMN2SCD5MAPTNR1H2

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-2023125944-A1 COMPOUND CONTAINING HETEROCYCLIC RING 正大天晴药业集团股份有限公司 2023-07-06 WO disclosed