SCHEMBL30834666

SCHEMBL30834666

CCOC(=O)C1=C(c2ccc(Cl)cc2)CC[C@@](C)(C=O)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 1/20 0.42
ABCC1 P33527 1/20 0.41
LMNA P02545 3/20 0.41
MAPT P10636 3/20 0.39
NPSR1 Q6W5P4 3/20 0.39
HTT P42858 1/20 0.39
ALPL P05186 1/20 0.39
TARBP2 Q15633 1/20 0.39
CHRM5 P08912 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM3 P20309 1/20 0.38
CACNA1D Q01668 1/20 0.38
PRKCZ Q05513 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
TSHR P16473 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL30834678 0.82 SLC6A3 (0.43) SLC6A3SLC6A2SLC6A4ABCC1LMNA
SCHEMBL1700317 0.82 SLC6A3 (0.45) SLC6A3SLC6A2SLC6A4ABCC1LMNA
SCHEMBL1956675 0.79 LMNA (0.54) SLC6A3SLC6A2SLC6A4ABCC1LMNA
SCHEMBL22325105 0.77 BCL2L1 (0.63) MAPTTSHRSMN1; SMN2GAA
SCHEMBL25711711 0.77 BCL2L1 (0.63) MAPTTSHRSMN1; SMN2GAA
SCHEMBL1955746 0.76 SLC6A3 (0.71) SLC6A3SLC6A2SLC6A4
SCHEMBL1743636 0.76 SLC6A3 (0.71) SLC6A3SLC6A2SLC6A4ALPLCHRM5
SCHEMBL21332404 0.75 SLC6A3 (0.72) SLC6A3SLC6A2SLC6A4CHRM5CHRM1
SCHEMBL30834660 0.75 SLC6A3 (0.41) SLC6A3SLC6A2SLC6A4ABCC1LMNA
SCHEMBL15921083 0.72 SLC6A3 (0.50) SLC6A3SLC6A2SLC6A4MAPTCHRM5

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