SCHEMBL22276598

SCHEMBL22276598

NCCOCCOCCOCCOCCOCCOc1cccc2c1C(O)N(C1CCC(=O)NC1=O)C2=O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 13/20 0.52
▸ DDB1 Q16531 10/20 0.52
▸ IKZF3 Q9UKT9 4/20 0.42
▸ MAP1LC3B Q9GZQ8 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ CHRM2 P08172 1/20 0.41
▸ OPRM1 P35372 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ TNF P01375 2/20 0.41
▸ IL1B P01584 2/20 0.41
▸ IKZF1 Q13422 2/20 0.41
▸ TBXA2R P21731 1/20 0.41
▸ AR P10275 1/20 0.40
▸ BRD4 O60885 1/20 0.39
▸ GSK3B P49841 3/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC1 Q13547 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
SCHEMBL24458964 0.88 HDAC1 (0.48) CRBNDDB1BRD4HDAC3HDAC1
SCHEMBL24391012 0.84 CRBN (0.47) CRBNDDB1MAP1LC3BBRD4HDAC3
SCHEMBL30241739 0.83 CRBN (0.52) CRBNDDB1IKZF3ALDH1A1CHRM2
SCHEMBL26148008 0.83 CRBN (0.52) CRBNDDB1IKZF3ALDH1A1CHRM2
SCHEMBL18493738 0.82 CRBN (0.66) CRBNDDB1IKZF3ALDH1A1CHRM2
SCHEMBL21106304 0.81 CRBN (0.40) CRBNDDB1IKZF3MAP1LC3BALDH1A1
SCHEMBL24937918 0.80 STAT3 (0.51) CRBNDDB1BRD4GSK3BHDAC3
SCHEMBL22276654 0.80 CRBN (0.79) CRBNDDB1IKZF3MAP1LC3BALDH1A1
SCHEMBL18438844 0.80 CRBN (0.79) CRBNDDB1IKZF3MAP1LC3BALDH1A1
SCHEMBL17873788 0.80 CRBN (0.79) CRBNDDB1IKZF3MAP1LC3BALDH1A1

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-2020152067-A1 HETEROCYCLIC DERIVATIVES MERCK PATENT GMBH (DE) 2020-07-30 — — WO disclosed
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