SCHEMBL30834646

SCHEMBL30834646

CC1(CN2CCN(C(=O)OC(C)(C)C)CC2)CCC(c2ccc(Cl)cc2)=C(CN2CCC(=O)CC2)C1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 6/20 0.46
VEGFA P15692 1/20 0.45
EGLN1 Q9GZT9 1/20 0.45
BCL2 P10415 7/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SETD7 Q8WTS6 1/20 0.40
STS P08842 1/20 0.38
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
TP53 P04637 1/20 0.37
THRB P10828 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
CNR1 P21554 1/20 0.36

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
SCHEMBL30834662 0.88 MEN1 (0.43) BCL2L1VEGFAEGLN1BCL2MEN1
SCHEMBL25423208 0.86 BCL2L1 (0.67) BCL2L1BCL2MEN1KMT2AHTT
SCHEMBL25422237 0.86 BCL2L1 (0.67) BCL2L1BCL2MEN1KMT2AHTT
SCHEMBL1955791 0.85 BCL2L1 (0.61) BCL2L1VEGFAEGLN1BCL2MEN1
SCHEMBL22325103 0.84 BCL2L1 (0.55) BCL2L1BCL2MEN1KMT2AHTT
SCHEMBL30834667 0.82 SMN1; SMN2 (0.43) BCL2L1VEGFAEGLN1MEN1KMT2A
SCHEMBL24483105 0.81 BCL2L1 (0.52) BCL2L1BCL2MEN1KMT2AHTT
SCHEMBL25422517 0.81 BCL2L1 (0.61) BCL2L1BCL2HTTSMN1; SMN2NPSR1
SCHEMBL25422247 0.81 BCL2L1 (0.61) BCL2L1BCL2HTTSMN1; SMN2NPSR1
SCHEMBL25422108 0.81 BCL2L1 (0.59) BCL2L1BCL2KMT2AHTTSMN1; 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-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