SCHEMBL31098009

SCHEMBL31098009

CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1COCC=O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.41
PDE4B Q07343 3/20 0.35
USP30 Q70CQ3 1/20 0.35
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NAMPT P43490 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
HPGD P15428 1/20 0.32
GPR119 Q8TDV5 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

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
SCHEMBL30484976 0.82 NR1H2 (0.41) NR1H2PDE4BUSP30USP2SMN1; SMN2
SCHEMBL30484975 0.82 NR1H2 (0.41) NR1H2PDE4BUSP30USP2SMN1; SMN2
SCHEMBL26093056 0.81 NR1H2 (0.50) NR1H2USP2SMN1; SMN2NAMPTMEN1
SCHEMBL13110458 0.79 NR1H2 (0.48) NR1H2PDE4BUSP30USP2SMN1; SMN2
SCHEMBL21216437 0.79 NR1H2 (0.55) NR1H2PDE4BUSP30USP2SMN1; SMN2
SCHEMBL29827071 0.79 NR1H2 (0.55) NR1H2PDE4BUSP30USP2SMN1; SMN2
SCHEMBL30837088 0.79 NR1H2 (0.48) NR1H2PDE4BUSP30USP2SMN1; SMN2
SCHEMBL14801400 0.79 NR1H2 (0.55) NR1H2PDE4BUSP30USP2SMN1; SMN2
SCHEMBL29826963 0.79 NR1H2 (0.55) NR1H2PDE4BUSP30USP2SMN1; SMN2
SCHEMBL26906071 0.79 NR1H2 (0.55) NR1H2PDE4BUSP30USP2SMN1; 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-118632841-A Heterocyclic compounds for the treatment of cancer 阿提奥斯医药有限公司 2024-09-10 CN disclosed