SCHEMBL30686990

SCHEMBL30686990

CC(C)(C)OC(=O)C1CCC2(CC1)COC2

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.40
RECQL P46063 1/20 0.35
MAPK1 P28482 1/20 0.34
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
GAA P10253 1/20 0.33
USP2 O75604 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31
HPGD P15428 1/20 0.30
BTK Q06187 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 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
SCHEMBL12002951 0.85 HRH3 (0.44) HRH3RECQLMAPK1JAK2JAK1
SCHEMBL20918704 0.82 HRH3 (0.42) HRH3RECQLMAPK1JAK2JAK1
SCHEMBL2633813 0.82 HRH3 (0.42) HRH3MAPK1JAK2JAK1GAA
SCHEMBL2223446 0.81 HRH3 (0.41) HRH3MAPK1GAAMEN1ALDH1A1
SCHEMBL31333761 0.81 HRH3 (0.41) HRH3RECQLMAPK1JAK2JAK1
SCHEMBL23945869 0.79 HRH3 (0.40) HRH3MAPK1JAK2JAK1MEN1
SCHEMBL30525657 0.79 HRH3 (0.39) HRH3RECQLMAPK1MEN1KMT2A
SCHEMBL22629968 0.78 CYP2C19 (0.45) HRH3MAPK1JAK2JAK1SMN1; SMN2
SCHEMBL1295721 0.77 HRH3 (0.51) HRH3RECQLMAPK1GAASMN1; SMN2
SCHEMBL186721 0.77 HRH3 (0.51) HRH3RECQLMAPK1GAASMN1; SMN2

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-117247395-A PDE4B inhibitors 武汉人福创新药物研发中心有限公司 2023-12-19 CN disclosed