SCHEMBL29943279

SCHEMBL29943279

CC(C)(C)OC(=O)CN1CCC(c2ccc(OC3CCC(=O)NC3=O)cn2)CC1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DDB1 Q16531 16/20 0.45
▸ CRBN Q96SW2 16/20 0.45
▸ WNT1 P04628 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ DYRK1A Q13627 1/20 0.37
▸ IKZF2 Q9UKS7 2/20 0.37
▸ CDK9 P50750 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
SCHEMBL28947554 1.00 DDB1 (0.45) DDB1CRBNWNT1GSK3BDYRK1A
SCHEMBL24125715 0.87 DDB1 (0.46) DDB1CRBNIKZF2
SCHEMBL24125934 0.86 DDB1 (0.58) DDB1CRBN
SCHEMBL25173024 0.86 DDB1 (0.52) DDB1CRBNIKZF2
Hydrochloric Acid SCHEMBL23301180 0.86 DDB1 (0.46) DDB1CRBNIKZF2
Hydrochloric Acid SCHEMBL30376943 0.86 DDB1 (0.46) DDB1CRBNIKZF2
SCHEMBL23301396 0.86 DDB1 (0.52) DDB1CRBNIKZF2
SCHEMBL25168320 0.86 DDB1 (0.52) DDB1CRBNIKZF2
Hydrochloric Acid SCHEMBL25173021 0.86 DDB1 (0.46) DDB1CRBNIKZF2
SCHEMBL23551734 0.82 DDB1 (0.60) DDB1CRBNWNT1GSK3BDYRK1A

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
EP-4051674-A1 BIFUNCTIONAL COMPOUNDS FOR THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2022-09-07 — — EP disclosed
Send feedback