SCHEMBL4432439

SCHEMBL4432439

CC(=O)N1CC(O)CC1C(=O)NC(CC(=O)O)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.54
CASP1 P29466 1/20 0.43
VHL P40337 4/20 0.42
PRSS1 P07477 1/20 0.37
TPSAB1 Q15661 1/20 0.37
MMP2 P08253 1/20 0.36
ANPEP P15144 1/20 0.36

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
SCHEMBL4432443 1.00 ATM (0.54) ATMCASP1VHLPRSS1TPSAB1
SCHEMBL4430311 0.89 ATM (0.51) ATMCASP1VHLPRSS1TPSAB1
SCHEMBL4430309 0.89 ATM (0.51) ATMCASP1VHLPRSS1TPSAB1
SCHEMBL4437822 0.88 ATM (0.53) ATMVHL
SCHEMBL4437826 0.88 ATM (0.53) ATMVHL
SCHEMBL4434719 0.87 ATM (0.55) ATMVHLPRSS1TPSAB1MMP2
SCHEMBL4434711 0.87 ATM (0.55) ATMVHLPRSS1TPSAB1MMP2
SCHEMBL4439286 0.86 ATM (0.54) ATMVHLPRSS1TPSAB1MMP2
SCHEMBL4439283 0.86 ATM (0.54) ATMVHLPRSS1TPSAB1MMP2
SCHEMBL4428531 0.85 ATM (0.53) ATMVHL

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2117536-A2 COSMETIC AND PHARMACEUTICAL APPLICATIONS OF N-ACYLATED AMINO ACIDS AND STRUCTURALLY RELATED COMPOUNDS Beiersdorf AG (DE) 2009-11-18 EP disclosed
WO-2008101693-A2 COSMETIC AND PHARMACEUTICAL APPLICATIONS OF N-ACYLATED AMINO ACIDS AND STRUCTURALLY RELATED COMPOUNDS BEIERSDORF AG (DE) 2008-08-28 WO disclosed