SCHEMBL22904572

SCHEMBL22904572

CC(C)(C)OC(=O)NCCCCCCCC#Cc1ccccc1Oc1cccc2c1C(=O)NC(=O)C2

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DDB1 Q16531 2/20 0.43
▸ CRBN Q96SW2 2/20 0.43
▸ DRD2 P14416 8/20 0.41
▸ PDPK1 O15530 1/20 0.37
▸ CCNB2 O95067 1/20 0.37
▸ PRKCB P05771 1/20 0.37
▸ CDK1 P06493 1/20 0.37
▸ LYN P07948 1/20 0.37
▸ CCNB1 P14635 1/20 0.37
▸ CCNA2 P20248 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ RPS6KA3 P51812 1/20 0.37
▸ CCNA1 P78396 1/20 0.37
▸ CCNB3 Q8WWL7 1/20 0.37
▸ ADORA3 P0DMS8 7/20 0.36
▸ CAMK2D Q13557 1/20 0.36

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
SCHEMBL22904570 1.00 DDB1 (0.43) DDB1CRBNDRD2PDPK1CCNB2
SCHEMBL22904357 0.97 DDB1 (0.44) DDB1CRBNDRD2PDPK1CCNB2
SCHEMBL22904364 0.89 DDB1 (0.51) DDB1CRBNDRD2PDPK1CCNB2
SCHEMBL22904409 0.88 DRD2 (0.41) DDB1CRBNDRD2ADORA3
SCHEMBL22904412 0.86 DDB1 (0.42) DDB1CRBNDRD2ADORA3
SCHEMBL22904410 0.86 DDB1 (0.42) DDB1CRBNDRD2ADORA3
SCHEMBL22904494 0.85 PDPK1 (0.42) DDB1CRBNDRD2PDPK1CCNB2
SCHEMBL22904495 0.85 PDPK1 (0.42) DDB1CRBNDRD2PDPK1CCNB2
SCHEMBL22904408 0.84 DRD2 (0.42) DDB1CRBNDRD2ADORA3
SCHEMBL22904569 0.84 DRD2 (0.46) DRD2PDPK1CCNB2PRKCBCDK1

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-2021011631-A1 FUSED-GLUTARIMIDE CRBN LIGANDS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-01-21 — — WO disclosed
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