SCHEMBL28753265

SCHEMBL28753265

NC(=O)OCCCCOc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 18/20 0.57
DDB1 Q16531 13/20 0.57
ALDH1A1 P00352 1/20 0.53
CHRM2 P08172 1/20 0.53
OPRM1 P35372 1/20 0.53
IKZF3 Q9UKT9 1/20 0.53
CYP1A2 P05177 1/20 0.53
TSHR P16473 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
IKZF1 Q13422 1/20 0.48
IKZF2 Q9UKS7 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
SCHEMBL20919985 0.99 CRBN (0.56) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL30595229 0.95 CRBN (0.58) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL30241697 0.91 CRBN (0.58) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL19475485 0.87 CRBN (0.62) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL25934367 0.87 CRBN (0.62) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL30493260 0.87 CRBN (0.62) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL29669581 0.87 CRBN (0.62) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL30241737 0.87 CRBN (0.58) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL20129105 0.87 CRBN (0.58) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL20919946 0.86 CRBN (0.61) 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-109071552-B Degradation of cyclin dependent kinase 4/6(CDK4/6) by conjugation of CDK4/6 inhibitors to E3 ligase ligands and methods of use 达纳-法伯癌症研究所公司 2022-06-03 CN disclosed