SCHEMBL21759445

SCHEMBL21759445

O=C1CCC(C2C(=O)c3ccc(C#CCO)cc3C2=O)C(=O)N1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 1/20 0.38
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
CCNB3 Q8WWL7 1/20 0.38
CRBN Q96SW2 14/20 0.34
DDB1 Q16531 10/20 0.34
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
GSK3B P49841 1/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CHRM2 P08172 1/20 0.32
OPRM1 P35372 1/20 0.32
IKZF3 Q9UKT9 1/20 0.32
GRM5 P41594 1/20 0.32
CYP1A2 P05177 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
BTK Q06187 1/20 0.31

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 0.78 CRBN (0.54) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL21759444 0.77 CRBN (0.40) CRBNDDB1POLBKMT2A
SCHEMBL29731983 0.76 CRBN (0.54) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL20129211 0.76 CRBN (0.54) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL21759441 0.76 CRBN (0.54) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL24440441 0.76 CRBN (0.54) CRBNDDB1IKZF3
SCHEMBL21070968 0.75 CRBN (0.65) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL411067 0.74 CRBN (0.53) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL22964373 0.72 POLB (0.44) CRBNDDB1POLBKMT2A
SCHEMBL29614730 0.72 CRBN (0.65) CRBN

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