SCHEMBL30834667

SCHEMBL30834667

CCOC(=O)C1=C(c2ccc(Cl)cc2)CCC(C)(CN2CCN(C(=O)OC(C)(C)C)CC2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 4/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
LMNA P02545 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
GAA P10253 1/20 0.42
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41
VEGFA P15692 1/20 0.41
EGLN1 Q9GZT9 1/20 0.41
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
STS P08842 1/20 0.39

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
SCHEMBL22325103 0.84 BCL2L1 (0.55) SMN1; SMN2HTTCYP1A2CYP2D6CYP2C9
SCHEMBL30834662 0.84 MEN1 (0.43) SMN1; SMN2HTTCYP1A2CYP2D6CYP2C9
SCHEMBL24483105 0.82 BCL2L1 (0.52) SMN1; SMN2HTTCYP1A2CYP2D6CYP2C9
SCHEMBL30834646 0.82 BCL2L1 (0.46) SMN1; SMN2HTTCYP1A2CYP2D6CYP2C9
SCHEMBL22325296 0.81 BCL2L1 (0.52) SMN1; SMN2HTTCYP1A2CYP2D6CYP2C9
SCHEMBL25420906 0.80 BCL2L1 (0.51) SMN1; SMN2HTTALDH1A1KMT2AMEN1
SCHEMBL25717095 0.80 BCL2L1 (0.51) SMN1; SMN2HTTALDH1A1KMT2AMEN1
SCHEMBL25717307 0.80 BCL2L1 (0.49) SMN1; SMN2HTTCYP1A2CYP2D6CYP2C9
SCHEMBL22325068 0.79 BCL2L1 (0.51) SMN1; SMN2HTTALDH1A1KMT2AMEN1
SCHEMBL25717383 0.79 BCL2L1 (0.49) SMN1; SMN2HTTCYP1A2CYP2D6CYP2C9

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