SCHEMBL19709449

SCHEMBL19709449

O=C(O)CCCOc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 13/20 0.52
▸ DDB1 Q16531 8/20 0.52
▸ BRD4 O60885 1/20 0.44
▸ STAT3 P40763 2/20 0.42
▸ IKZF3 Q9UKT9 3/20 0.41
▸ MAP1LC3B Q9GZQ8 1/20 0.38
▸ CCNK O75909 1/20 0.38
▸ CDK12 Q9NYV4 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ CDK9 P50750 1/20 0.38
▸ CDK5 Q00535 1/20 0.38
▸ HDAC3 O15379 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ NCOR2 Q9Y618 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ CHRM2 P08172 1/20 0.37
▸ OPRM1 P35372 1/20 0.37

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
SCHEMBL19618073 0.89 CRBN (0.66) CRBNDDB1BRD4STAT3IKZF3
SCHEMBL22507965 0.84 CRBN (0.58) CRBNDDB1IKZF3HDAC3HDAC1
SCHEMBL23945771 0.83 CRBN (0.46) CRBNDDB1BRD4STAT3IKZF3
SCHEMBL21341140 0.82 CRBN (0.44) CRBNDDB1IKZF3ALDH1A1CHRM2
SCHEMBL30241739 0.82 CRBN (0.52) CRBNDDB1STAT3IKZF3CCNK
SCHEMBL26148008 0.82 CRBN (0.52) CRBNDDB1STAT3IKZF3CCNK
SCHEMBL20759891 0.81 CRBN (0.44) CRBNDDB1BRD4IKZF3ALDH1A1
SCHEMBL22606726 0.81 CRBN (0.47) CRBNDDB1BRD4IKZF3ALDH1A1
SCHEMBL22959649 0.81 CRBN (0.51) CRBNDDB1BRD4STAT3IKZF3
SCHEMBL24818018 0.81 CRBN (0.48) CRBNDDB1STAT3IKZF3MAP1LC3B

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-2017212329-A1 CLIPTAC COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-12-14 — — WO disclosed
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