SCHEMBL23343296

SCHEMBL23343296

CC(C)C[C@H](NC(=O)CC(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.58
ATM Q13315 1/20 0.57
REN P00797 5/20 0.56
APP P05067 4/20 0.55
KLK5 Q9Y337 1/20 0.54
MAPK1 P28482 1/20 0.54
MME P08473 1/20 0.51
PSEN1 P49768 1/20 0.50
PSEN2 P49810 1/20 0.50
APH1B Q8WW43 1/20 0.50
NCSTN Q92542 1/20 0.50
APH1A Q96BI3 1/20 0.50
PSENEN Q9NZ42 1/20 0.50

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
SCHEMBL11096532 1.00 ACE (0.58) ACEATMRENAPPKLK5
SCHEMBL13995497 0.84 ATM (0.68) ACEATMRENAPPMAPK1
SCHEMBL13995499 0.84 ATM (0.68) ACEATMRENAPPMAPK1
SCHEMBL18229266 0.83 REN (0.71) ACERENMAPK1MME
SCHEMBL3498474 0.83 REN (0.71) ACERENMAPK1MME
SCHEMBL24224252 0.83 REN (0.71) ACERENMAPK1MME
SCHEMBL7269523 0.83 REN (0.71) ACERENMAPK1MME
SCHEMBL28611118 0.83 REN (0.71) ACERENMAPK1MME
SCHEMBL12242944 0.83 REN (0.71) ACERENMAPK1MME
SCHEMBL24387806 0.82 ATM (0.65) ACEATMAPPKLK5

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-2021086069-A1 COMPOUND COMPRISING EZH2 INHIBITOR AND E3 LIGASE BINDER AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING EZH2-ASSOCIATED DISEASE COMPRISING SAME AS ACTIVE INGREDIENT 재단법인 대구경북첨단의료산업진흥재단 2021-05-06 WO disclosed