SCHEMBL4434675

SCHEMBL4434675

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

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.44
NAALAD2 Q9Y3Q0 6/20 0.42
FOLH1 Q04609 2/20 0.42
VHL P40337 4/20 0.41
PRSS1 P07477 1/20 0.40
TPSAB1 Q15661 1/20 0.40
F2 P00734 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.36
NRP1 O14786 2/20 0.35

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
SCHEMBL4434683 1.00 ATM (0.44) ATMNAALAD2FOLH1VHLPRSS1
SCHEMBL29391935 0.90 NAALAD2 (0.42) ATMNAALAD2FOLH1VHLPRSS1
SCHEMBL29721137 0.89 NAALAD2 (0.39) NAALAD2FOLH1VHLPRSS1TPSAB1
SCHEMBL29390679 0.87 NAALAD2 (0.39) NAALAD2FOLH1VHLSMN1; SMN2
SCHEMBL4440604 0.83 ATM (0.50) ATMNAALAD2FOLH1VHLPRSS1
SCHEMBL4440608 0.83 ATM (0.50) ATMNAALAD2FOLH1VHLPRSS1
SCHEMBL31110301 0.82 F2 (0.47) NAALAD2FOLH1VHLF2SMN1; SMN2
SCHEMBL21711187 0.82 F2 (0.47) NAALAD2FOLH1VHLF2SMN1; SMN2
SCHEMBL4432404 0.81 ATM (0.50) ATMVHLPRSS1TPSAB1F2
SCHEMBL4432403 0.81 ATM (0.50) ATMVHLPRSS1TPSAB1F2

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