SCHEMBL29188615

SCHEMBL29188615

CCC1c2cc(Br)ccc2C(=O)N1C1CCC(=O)NC1=O

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 18/20 0.57
▸ DDB1 Q16531 11/20 0.57
▸ ALDH1A1 P00352 1/20 0.43
▸ CHRM2 P08172 1/20 0.43
▸ OPRM1 P35372 1/20 0.43
▸ IKZF3 Q9UKT9 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ BCL2L11 O43521 1/20 0.41
▸ BCL2 P10415 1/20 0.41
▸ MCL1 Q07820 1/20 0.41

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
SCHEMBL26103591 0.85 CRBN (0.60) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL21208002 0.75 CRBN (0.60) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL13881718 0.74 CRBN (0.59) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL23565622 0.73 CRBN (0.44) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL1413468 0.73 CRBN (1.00) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL30458460 0.73 CRBN (1.00) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL28434653 0.71 CRBN (0.57) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL27267015 0.71 CRBN (0.47) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL30930626 0.71 CRBN (0.47) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL29116389 0.71 CRBN (0.44) CRBNDDB1ALDH1A1CHRM2OPRM1

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-116239566-A E3 ubiquitin ligase ligand compound, protein degradation agent developed based on ligand compound and application thereof 标新生物医药科技(上海)有限公司 2023-06-09 — — CN disclosed
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