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SCHEMBL24745172

SCHEMBL24745172

Cc1cc(OCCCc2c(C(=O)OC(C)(C)C)n(CCN3CCOCC3)c3c(-c4c(C)nn(CCCOCCOCCNc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)c4C)cccc23)cc(C)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDE6D O43924 2/20 0.46
▸ GRAMD1A Q96CP6 5/20 0.46
▸ DDB1 Q16531 1/20 0.43
▸ CRBN Q96SW2 1/20 0.43
▸ MCL1 Q07820 6/20 0.43
▸ STAT3 P40763 3/20 0.42
▸ ALB P02768 1/20 0.42
▸ PTK2 Q05397 1/20 0.42
▸ ALK Q9UM73 2/20 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
SCHEMBL30000785 0.96 DDB1 (0.45) PDE6DGRAMD1ADDB1CRBNMCL1
SCHEMBL24744714 0.96 DDB1 (0.45) PDE6DGRAMD1ADDB1CRBNMCL1
SCHEMBL30000748 0.95 GRAMD1A (0.45) PDE6DGRAMD1ADDB1CRBNMCL1
SCHEMBL24744722 0.95 GRAMD1A (0.45) PDE6DGRAMD1ADDB1CRBNMCL1
SCHEMBL24744625 0.94 MCL1 (0.49) PDE6DMCL1ALB
SCHEMBL30000975 0.92 MCL1 (0.52) PDE6DGRAMD1ADDB1CRBNMCL1
SCHEMBL24745226 0.92 MCL1 (0.52) PDE6DGRAMD1ADDB1CRBNMCL1
SCHEMBL24744701 0.92 PDE6D (0.50) PDE6DGRAMD1ADDB1CRBNSTAT3
SCHEMBL24773680 0.91 MCL1 (0.40) MCL1ALB
SCHEMBL24745677 0.90 PDE6D (0.45) PDE6DGRAMD1ASTAT3PTK2ALK

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 2 patents. 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
WO-2022253713-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