SCHEMBL4440604

SCHEMBL4440604

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

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.50
NAALAD2 Q9Y3Q0 3/20 0.43
VHL P40337 4/20 0.42
PRSS1 P07477 1/20 0.41
TPSAB1 Q15661 1/20 0.41
FOLH1 Q04609 2/20 0.39
F2 P00734 1/20 0.38
MMP2 P08253 1/20 0.37
ANPEP P15144 1/20 0.37
CPB2 Q96IY4 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
SCHEMBL4440608 1.00 ATM (0.50) ATMNAALAD2VHLPRSS1TPSAB1
SCHEMBL29720815 0.85 NAALAD2 (0.46) NAALAD2FOLH1CPB2
SCHEMBL4432404 0.85 ATM (0.50) ATMVHLPRSS1TPSAB1F2
SCHEMBL4432403 0.85 ATM (0.50) ATMVHLPRSS1TPSAB1F2
SCHEMBL30612366 0.84 NAALAD2 (0.44) NAALAD2FOLH1CPB2
SCHEMBL4437822 0.84 ATM (0.53) ATMNAALAD2VHLFOLH1
SCHEMBL4437826 0.84 ATM (0.53) ATMNAALAD2VHLFOLH1
SCHEMBL4434719 0.84 ATM (0.55) ATMVHLPRSS1TPSAB1MMP2
SCHEMBL4434711 0.84 ATM (0.55) ATMVHLPRSS1TPSAB1MMP2
SCHEMBL4434683 0.83 ATM (0.44) ATMNAALAD2VHLPRSS1TPSAB1

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