SCHEMBL25148798

SCHEMBL25148798

CC#C[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.48
BRD4 O60885 1/20 0.37
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HCRTR2 O43614 1/20 0.32
HSD11B2 P80365 1/20 0.31
RECQL P46063 1/20 0.31
CTSK P43235 1/20 0.31
NR1H2 P55055 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
SCHEMBL11956429 1.00 SPHK1 (0.48) SPHK1BRD4CHRM2CHRM1CHRM3
SCHEMBL10223487 0.87 SPHK1 (0.47) SPHK1BRD4CHRM2CHRM1CHRM3
SCHEMBL10272352 0.85 SPHK1 (0.54) SPHK1BRD4CHRM2CHRM1CHRM3
SCHEMBL9752336 0.85 SPHK1 (0.51) SPHK1BRD4CHRM2CHRM1CHRM3
SCHEMBL14314018 0.85 SPHK1 (0.54) SPHK1BRD4CHRM2CHRM1CHRM3
SCHEMBL10272353 0.85 SPHK1 (0.54) SPHK1BRD4CHRM2CHRM1CHRM3
SCHEMBL1833725 0.84 SPHK1 (0.49) SPHK1BRD4CHRM2CHRM1CHRM3
SCHEMBL1833726 0.84 SPHK1 (0.49) SPHK1BRD4CHRM2CHRM1CHRM3
SCHEMBL6979603 0.84 SPHK1 (0.49) SPHK1BRD4CHRM2CHRM1CHRM3
SCHEMBL11968694 0.84 SPHK1 (0.45) SPHK1BRD4CHRM2CHRM1CHRM3

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
WO-2023062575-A1 CYCLIC VINYL SULFONE COMPOUNDS AS WRN INHIBITORS IDEAYA BIOSCIENCES, INC. (US) 2023-04-20 WO disclosed
WO-2023062575-A1 CYCLIC VINYL SULFONE COMPOUNDS AS WRN INHIBITORS IDEAYA BIOSCIENCES, INC. (US) 2023-04-20 WO disclosed