SCHEMBL29842899

SCHEMBL29842899

O=C(O)CCCCCCCCOc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 14/20 0.77
▸ DDB1 Q16531 12/20 0.77
▸ STAT3 P40763 1/20 0.61
▸ CCNK O75909 1/20 0.57
▸ CDK12 Q9NYV4 1/20 0.57
▸ CDK2 P24941 1/20 0.57
▸ CDK9 P50750 1/20 0.57
▸ CDK5 Q00535 1/20 0.57
▸ HDAC1 Q13547 4/20 0.56
▸ HDAC6 Q9UBN7 4/20 0.56
▸ HDAC3 O15379 1/20 0.56
▸ HDAC4 P56524 1/20 0.56
▸ HDAC2 Q92769 1/20 0.56
▸ NCOR2 Q9Y618 1/20 0.56
▸ TNF P01375 1/20 0.56
▸ IL1B P01584 1/20 0.56
▸ TBXA2R P21731 1/20 0.56
▸ IKZF1 Q13422 1/20 0.56
▸ IKZF3 Q9UKT9 1/20 0.56
▸ MAP1LC3B Q9GZQ8 1/20 0.54

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
SCHEMBL19692297 1.00 CRBN (0.77) CRBNDDB1STAT3CCNKCDK12
SCHEMBL30305312 1.00 CRBN (0.77) CRBNDDB1STAT3CCNKCDK12
SCHEMBL19692453 1.00 CRBN (0.77) CRBNDDB1STAT3CCNKCDK12
SCHEMBL21294522 1.00 CRBN (0.77) CRBNDDB1STAT3CCNKCDK12
SCHEMBL22959658 1.00 CRBN (0.77) CRBNDDB1STAT3CCNKCDK12
SCHEMBL23832857 1.00 CRBN (0.77) CRBNDDB1STAT3CCNKCDK12
SCHEMBL19692342 1.00 CRBN (0.77) CRBNDDB1STAT3CCNKCDK12
SCHEMBL30305317 1.00 CRBN (0.77) CRBNDDB1STAT3CCNKCDK12
SCHEMBL19692300 0.99 CRBN (0.78) CRBNDDB1STAT3CCNKCDK12
SCHEMBL30275753 0.99 CRBN (0.78) CRBNDDB1STAT3CCNKCDK12

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
WO-2022185319-A1 UBIQUITIN LIGASE KPC1-PEPTIDE BASED PROTEOLYSIS TARGETING CHIMERAS (PROTAC) AND USES THEREOF TECHNION RESEARCH & DEVELOPMENT FOUNDATION LIMITED (IL) 2022-09-09 — — WO disclosed
Send feedback