Sugi Predict

Sugi Predict / Compounds / SCHEMBL30000975

SCHEMBL30000975

SCHEMBL30000975

Cc1nn(CCCOCCOCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)c(C)c1-c1cccc2c(CCCOc3cccc4ccccc34)c(C(=O)OC(C)(C)C)n(CCN3CCOCC3)c12

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 11/20 0.52
▸ ALB P02768 2/20 0.52
▸ PDE6D O43924 2/20 0.47
▸ DDB1 Q16531 1/20 0.44
▸ CRBN Q96SW2 1/20 0.44
▸ GRAMD1A Q96CP6 3/20 0.43
▸ STAT3 P40763 3/20 0.42
▸ BCL2 P10415 1/20 0.42

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
SCHEMBL24745226 1.00 MCL1 (0.52) MCL1ALBPDE6DDDB1CRBN
SCHEMBL24745274 0.94 MCL1 (0.60) MCL1ALBPDE6DSTAT3BCL2
SCHEMBL30000879 0.94 MCL1 (0.60) MCL1ALBPDE6DSTAT3BCL2
SCHEMBL29262070 0.93 MCL1 (0.61) MCL1ALBPDE6DBCL2
SCHEMBL24745172 0.92 PDE6D (0.46) MCL1ALBPDE6DDDB1CRBN
SCHEMBL24744714 0.88 DDB1 (0.45) MCL1ALBPDE6DDDB1CRBN
SCHEMBL30000785 0.88 DDB1 (0.45) MCL1ALBPDE6DDDB1CRBN
SCHEMBL24744722 0.87 GRAMD1A (0.45) MCL1ALBPDE6DDDB1CRBN
SCHEMBL30000748 0.87 GRAMD1A (0.45) MCL1ALBPDE6DDDB1CRBN
SCHEMBL24744625 0.86 MCL1 (0.49) MCL1ALBPDE6D

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