SCHEMBL19387899

SCHEMBL19387899

CC(C)(C)OC(=O)NCCNC(=O)COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2O

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 11/20 0.54
▸ DDB1 Q16531 8/20 0.54
▸ BRD4 O60885 1/20 0.52
▸ STAT3 P40763 1/20 0.46
▸ HDAC1 Q13547 5/20 0.43
▸ HDAC6 Q9UBN7 5/20 0.43
▸ HDAC3 O15379 2/20 0.43
▸ HDAC2 Q92769 2/20 0.43
▸ HDAC4 P56524 1/20 0.43
▸ NCOR2 Q9Y618 1/20 0.43
▸ GSK3B P49841 3/20 0.40
▸ MAPT P10636 1/20 0.40
▸ SNCA P37840 1/20 0.40
▸ PIP4K2C Q8TBX8 1/20 0.39

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
SCHEMBL20014025 0.94 CRBN (0.51) CRBNDDB1BRD4STAT3HDAC1
SCHEMBL20153983 0.87 CRBN (0.50) CRBNDDB1BRD4STAT3HDAC1
SCHEMBL19387868 0.87 CRBN (0.53) CRBNDDB1BRD4STAT3HDAC1
SCHEMBL19308879 0.87 CRBN (0.54) CRBNDDB1BRD4STAT3
SCHEMBL20153975 0.85 CRBN (0.54) CRBNDDB1BRD4STAT3HDAC1
SCHEMBL25917968 0.85 CRBN (0.71) CRBNDDB1STAT3
SCHEMBL20154048 0.85 CRBN (0.52) CRBNDDB1BRD4STAT3HDAC1
SCHEMBL19068590 0.85 CRBN (0.56) CRBNDDB1BRD4STAT3HDAC1
SCHEMBL23015941 0.84 CRBN (0.56) CRBNDDB1BRD4STAT3HDAC1
SCHEMBL22507992 0.84 CRBN (0.56) CRBNDDB1BRD4STAT3HDAC1

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
US-9770512-B2 Methods to induce targeted protein degradation through bifunctional molecules DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-09-26 — — US disclosed
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