SCHEMBL30834656

SCHEMBL30834656

COC(=O)c1cc(CN2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VEGFA P15692 1/20 0.52
EGLN1 Q9GZT9 1/20 0.52
HCRTR1 O43613 1/20 0.48
HCRTR2 O43614 1/20 0.48
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
NPSR1 Q6W5P4 2/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PLA2G7 Q13093 1/20 0.46
MGLL Q99685 1/20 0.46
ABHD6 Q9BV23 1/20 0.46
SETD7 Q8WTS6 1/20 0.46
TP53 P04637 1/20 0.46
THRB P10828 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
STS P08842 1/20 0.44
TBK1 Q9UHD2 4/20 0.44

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
SCHEMBL30834665 0.85 VEGFA (0.56) VEGFAEGLN1NPSR1HTTSMN1; SMN2
SCHEMBL23301852 0.84 ALDH1A1 (0.49) VEGFAEGLN1MAPTNPSR1SMN1; SMN2
SCHEMBL29943231 0.84 ALDH1A1 (0.49) VEGFAEGLN1MAPTNPSR1SMN1; SMN2
SCHEMBL1955369 0.84 HCRTR1 (0.56) HCRTR1HCRTR2GAAMAPTHPGD
SCHEMBL32667348 0.84 VEGFA (0.64) VEGFAEGLN1NPSR1HTTSMN1; SMN2
SCHEMBL5536182 0.83 VEGFA (0.68) VEGFAEGLN1GAAMAPTHPGD
SCHEMBL26648127 0.82 SMN1; SMN2 (0.56) VEGFAEGLN1HCRTR1HCRTR2GAA
SCHEMBL31450827 0.82 SMN1; SMN2 (0.56) VEGFAEGLN1HCRTR1HCRTR2GAA
SCHEMBL25487258 0.82 ALDH1A1 (0.53) VEGFAEGLN1NPSR1SMN1; SMN2TP53
SCHEMBL20567000 0.82 ALDH1A1 (0.45) VEGFAEGLN1MAPTNPSR1PLA2G7

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-117886881-A Chimeric compound for targeted degradation of BCL-2 protein, preparation method and application thereof in medicine 江苏恒瑞医药股份有限公司 2024-04-16 CN disclosed