SCHEMBL24833738

SCHEMBL24833738

CCCC(=O)OCN1C(=O)CCC(N2C(=O)c3ccc(C)cc3C2=O)C1=O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
MAPK1 P28482 1/20 0.39
CRBN Q96SW2 4/20 0.37
DDB1 Q16531 3/20 0.37
TSHR P16473 2/20 0.37
PIN1 Q13526 1/20 0.36
PIN4 Q9Y237 1/20 0.36
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
LMNA P02545 1/20 0.35
LPAR1 Q92633 1/20 0.35
LPAR3 Q9UBY5 1/20 0.35
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL5478671 0.89 ALDH1A1 (0.43) ALDH1A1CRBNDDB1TSHRMEN1
SCHEMBL25696450 0.85 ALDH1A1 (0.37) ALDH1A1MAPK1CRBNDDB1TSHR
SCHEMBL24294557 0.81 CRBN (0.45) CRBNDDB1TSHR
Hydrochloric Acid SCHEMBL7742015 0.77 CYP1A2 (0.43) ALDH1A1CRBNDDB1TSHRMEN1
SCHEMBL5475099 0.76 CYP1A2 (0.39) ALDH1A1CRBNDDB1TSHRMEN1
SCHEMBL2910295 0.76 L3MBTL1 (0.40) ALDH1A1CRBNDDB1TSHRKMT2A
SCHEMBL3592001 0.76 ALDH1A1 (0.41) ALDH1A1CRBNDDB1TSHRMEN1
SCHEMBL2918755 0.76 ALDH1A1 (0.41) ALDH1A1CRBNDDB1TSHRMEN1
SCHEMBL13297907 0.75 DDB1 (0.43) ALDH1A1CRBNDDB1TSHRMEN1
SCHEMBL13167679 0.75 L3MBTL1 (0.41) ALDH1A1CRBNDDB1TSHRKMT2A

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-2023274390-A1 BRUTON'S TYROSINE KINASE AND MUTANT DEGRADER, COMPOSITION AND APPLICATION THEREOF 杭州和正医药有限公司 2023-01-05 WO disclosed