SCHEMBL21759441

SCHEMBL21759441

O=C1CCC(C2C(=O)c3ccc(Br)cc3C2=O)C(=O)N1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 13/20 0.54
DDB1 Q16531 10/20 0.54
TDP2 O95551 1/20 0.38
ALDH1A1 P00352 1/20 0.36
CHRM2 P08172 1/20 0.36
OPRM1 P35372 1/20 0.36
IKZF3 Q9UKT9 1/20 0.36
CYP1A2 P05177 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
S100A4 P26447 1/20 0.36
BCL2L11 O43521 1/20 0.35
BCL2 P10415 1/20 0.35
MCL1 Q07820 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
PARP10 Q53GL7 2/20 0.35

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
SCHEMBL26510514 0.86 CRBN (0.54) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL29731983 0.83 CRBN (0.54) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL20129211 0.83 CRBN (0.54) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL24440441 0.83 CRBN (0.54) CRBNDDB1IKZF3
SCHEMBL411067 0.82 CRBN (0.53) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL24827954 0.78 CRBN (0.41) CRBNDDB1
SCHEMBL22964373 0.77 POLB (0.44) CRBNDDB1
SCHEMBL21759444 0.77 CRBN (0.40) CRBNDDB1
SCHEMBL21759445 0.76 CCNB2 (0.38) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL22661372 0.76 CRBN (0.51) CRBNDDB1ALDH1A1CYP1A2

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-2020038415-A1 TROPOMYOSIN RECEPTOR KINASE (TRK) DEGRADATION COMPOUNDS AND METHODS OF USE CULLGEN (SHANGHAI), INC. (CN) 2020-02-27 WO disclosed