SCHEMBL24745645

SCHEMBL24745645

Nc1cc(CCO)cc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 18/20 0.59
▸ DDB1 Q16531 13/20 0.59
▸ IKZF3 Q9UKT9 2/20 0.59
▸ TNF P01375 2/20 0.59
▸ IL1B P01584 1/20 0.59
▸ TBXA2R P21731 1/20 0.59
▸ IKZF1 Q13422 1/20 0.59
▸ ALDH1A1 P00352 1/20 0.52
▸ CHRM2 P08172 1/20 0.52
▸ OPRM1 P35372 1/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC2 Q92769 1/20 0.47

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
SCHEMBL30000850 1.00 CRBN (0.59) CRBNDDB1IKZF3TNFIL1B
SCHEMBL24745623 0.84 CRBN (0.62) CRBNDDB1IKZF3TNFIL1B
SCHEMBL22225191 0.83 CRBN (0.58) CRBNDDB1IKZF3TNFIL1B
SCHEMBL21760377 0.82 CRBN (0.67) CRBNDDB1IKZF3ALDH1A1CHRM2
SCHEMBL30128285 0.82 CRBN (0.67) CRBNDDB1IKZF3ALDH1A1CHRM2
SCHEMBL15439893 0.82 CRBN (0.67) CRBNDDB1IKZF3TNFIL1B
SCHEMBL22737366 0.80 CRBN (0.67) CRBNDDB1IKZF3TNFIL1B
SCHEMBL24745183 0.80 CRBN (0.65) CRBNDDB1IKZF3TNFIL1B
SCHEMBL12041884 0.80 CRBN (0.67) CRBNDDB1IKZF3TNFIL1B
SCHEMBL25271282 0.78 CRBN (0.62) CRBNDDB1IKZF3TNFIL1B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117957218-A Targeted protein degradation using bifunctional compounds that bind to ubiquitin ligases and target MCL-1 proteins 凯普托尔治疗学股份有限公司 2024-04-30 — — CN disclosed
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
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