SCHEMBL29262012

SCHEMBL29262012

C[C@H](Oc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 14/20 0.63
IKZF3 Q9UKT9 11/20 0.63
TNF P01375 6/20 0.59
IL1B P01584 4/20 0.59
IKZF1 Q13422 3/20 0.59
DDB1 Q16531 2/20 0.59
BRD4 O60885 1/20 0.59
CSNK1A1 P48729 1/20 0.53
MAP1LC3B Q9GZQ8 1/20 0.51
HDAC3 O15379 1/20 0.51
HDAC1 Q13547 1/20 0.51

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
SCHEMBL30122062 1.00 CRBN (0.63) CRBNIKZF3TNFIL1BIKZF1
SCHEMBL31727416 1.00 CRBN (0.63) CRBNIKZF3TNFIL1BIKZF1
SCHEMBL29262028 1.00 CRBN (0.63) CRBNIKZF3TNFIL1BIKZF1
SCHEMBL29262073 1.00 CRBN (0.63) CRBNIKZF3TNFIL1BIKZF1
SCHEMBL24744806 1.00 CRBN (0.63) CRBNIKZF3TNFIL1BIKZF1
SCHEMBL31090548 1.00 CRBN (0.63) CRBNIKZF3TNFIL1BIKZF1
SCHEMBL24745307 1.00 CRBN (0.63) CRBNIKZF3TNFIL1BIKZF1
SCHEMBL29262124 1.00 CRBN (0.63) CRBNIKZF3TNFIL1BIKZF1
SCHEMBL31727937 1.00 CRBN (0.63) CRBNIKZF3TNFIL1BIKZF1
SCHEMBL19503643 0.89 CRBN (0.66) CRBNIKZF3TNFIL1BIKZF1

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-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