SCHEMBL31526652

SCHEMBL31526652

CC(C)(C)OC(=O)N1[C@H]([C@H]2[C@@H](CO)C2(C)C)COC1(C)C

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.45
BRD4 O60885 1/20 0.37
NR1H2 P55055 1/20 0.35
HSD11B2 P80365 1/20 0.33
HCRTR2 O43614 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
USP2 O75604 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL27018597 0.81 SPHK1 (0.46) SPHK1BRD4NR1H2HSD11B2HCRTR2
SCHEMBL31526584 0.80 SPHK1 (0.38) SPHK1BRD4HSD11B2
SCHEMBL31526458 0.80 SPHK1 (0.42) SPHK1BRD4HSD11B2HCRTR2CHRM2
SCHEMBL1526136 0.78 SPHK1 (0.50) SPHK1BRD4NR1H2HSD11B2HCRTR2
SCHEMBL1067807 0.78 SPHK1 (0.50) SPHK1BRD4NR1H2HSD11B2HCRTR2
SCHEMBL1067809 0.78 SPHK1 (0.50) SPHK1BRD4NR1H2HSD11B2HCRTR2
SCHEMBL28821227 0.74 SPHK1 (0.44) SPHK1BRD4NR1H2HSD11B2HCRTR2
SCHEMBL30453637 0.74 SPHK1 (0.44) SPHK1BRD4NR1H2HSD11B2HCRTR2
SCHEMBL28821226 0.74 SPHK1 (0.44) SPHK1BRD4NR1H2HSD11B2HCRTR2
SCHEMBL17520115 0.73 SPHK1 (0.50) SPHK1BRD4NR1H2HSD11B2HCRTR2

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