SCHEMBL30000950

SCHEMBL30000950

CCOC(=O)c1[nH]c2c(Br)c(Cl)ccc2c1CCCOc1cccc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 18/20 0.55
BCL2 P10415 2/20 0.52
BCL2L1 Q07817 1/20 0.52
ALB P02768 1/20 0.51
NEK4 P51957 3/20 0.48
PRKCD Q05655 3/20 0.48
CAMK2B Q13554 3/20 0.48
CAMK2G Q13555 3/20 0.48
CAMK2D Q13557 3/20 0.48
HIPK2 Q9H2X6 3/20 0.48
MAP3K20 Q9NYL2 3/20 0.48
MAP4K5 Q9Y4K4 3/20 0.48
IRAK1 P51617 2/20 0.48
MAP4K2 Q12851 2/20 0.48
TAOK1 Q7L7X3 2/20 0.48
HIPK4 Q8NE63 2/20 0.48
AURKB Q96GD4 2/20 0.48
PBK Q96KB5 2/20 0.48
DAPK3 O43293 1/20 0.48
PRKD3 O94806 1/20 0.48

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
SCHEMBL22436876 1.00 MCL1 (0.55) MCL1BCL2BCL2L1ALBNEK4
SCHEMBL22436674 0.91 MCL1 (0.46) MCL1BCL2BCL2L1ALBNEK4
SCHEMBL29470900 0.91 MCL1 (0.46) MCL1BCL2BCL2L1ALBNEK4
SCHEMBL19615272 0.91 MCL1 (0.60) MCL1BCL2BCL2L1ALBNEK4
SCHEMBL22436730 0.89 MCL1 (0.55) MCL1BCL2BCL2L1ALBNEK4
SCHEMBL30000817 0.89 MCL1 (0.55) MCL1BCL2BCL2L1ALBNEK4
SCHEMBL24745217 0.88 MCL1 (0.43) MCL1BCL2BCL2L1ALBNEK4
SCHEMBL30000670 0.88 MCL1 (0.43) MCL1BCL2BCL2L1ALBNEK4
SCHEMBL4165286 0.88 MCL1 (0.60) MCL1BCL2BCL2L1ALBNEK4
SCHEMBL4168113 0.85 MCL1 (0.55) MCL1BCL2BCL2L1ALBNEK4

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
WO-2022255888-A1 TARGETED PROTEIN DEGRADATION USING BIFUNCTIONAL COMPOUNDS THAT BIND UBIQUITIN LIGASE AND TARGET MCL-1 PROTEIN CAPTOR THERAPEUTICS S.A. (PL) 2022-12-08 WO disclosed