SCHEMBL29137874

SCHEMBL29137874

O=C(O)CCCCCCCCCCC(=O)Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 10/20 0.59
▸ BRD4 O60885 9/20 0.57
▸ TNF P01375 1/20 0.55
▸ IL1B P01584 1/20 0.55
▸ IKZF1 Q13422 1/20 0.55
▸ DDB1 Q16531 1/20 0.55
▸ IKZF3 Q9UKT9 1/20 0.55
▸ MAP1LC3B Q9GZQ8 4/20 0.53

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
SCHEMBL20362334 1.00 CRBN (0.59) CRBNBRD4TNFIL1BIKZF1
SCHEMBL22464808 1.00 CRBN (0.59) CRBNBRD4TNFIL1BIKZF1
SCHEMBL23772949 1.00 CRBN (0.59) CRBNBRD4TNFIL1BIKZF1
SCHEMBL22464461 0.99 CRBN (0.60) CRBNBRD4TNFIL1BIKZF1
SCHEMBL464519 0.97 CRBN (0.60) CRBNBRD4TNFIL1BIKZF1
SCHEMBL26323874 0.96 CRBN (0.63) CRBNBRD4TNFIL1BIKZF1
SCHEMBL26317744 0.96 CRBN (0.63) CRBNBRD4TNFIL1BIKZF1
SCHEMBL26321035 0.96 CRBN (0.63) CRBNBRD4TNFIL1BIKZF1
SCHEMBL26323878 0.96 CRBN (0.63) CRBNBRD4TNFIL1BIKZF1
SCHEMBL26321021 0.95 CRBN (0.64) CRBNBRD4TNFIL1BIKZF1

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-115850282-A Compound for targeted degradation of EGFR protein and preparation method and application thereof 华东理工大学 2023-03-28 — — CN disclosed
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