SCHEMBL4439286

SCHEMBL4439286

CC(=O)N1CC(O)C[C@H]1C(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.54
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
ALOX15 P16050 1/20 0.46
NFKB1 P19838 1/20 0.46
PTGS2 P35354 1/20 0.46
THPO P40225 1/20 0.46
RECQL P46063 1/20 0.46
BLM P54132 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
VHL P40337 4/20 0.42
ACE P12821 1/20 0.40
PRSS1 P07477 1/20 0.39
TPSAB1 Q15661 1/20 0.39
FOLH1 Q04609 1/20 0.38
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
SCHEMBL4439283 1.00 ATM (0.54) ATMKDM4EMAPTTHRBALOX15
SCHEMBL4434711 0.87 ATM (0.55) ATMVHLPRSS1TPSAB1MMP2
SCHEMBL4434719 0.87 ATM (0.55) ATMVHLPRSS1TPSAB1MMP2
SCHEMBL4432443 0.86 ATM (0.54) ATMVHLPRSS1TPSAB1MMP2
SCHEMBL4432439 0.86 ATM (0.54) ATMVHLPRSS1TPSAB1MMP2
SCHEMBL4428531 0.85 ATM (0.53) ATMMAPTVHLFOLH1
SCHEMBL4428529 0.85 ATM (0.53) ATMMAPTVHLFOLH1
SCHEMBL4437826 0.85 ATM (0.53) ATMVHLFOLH1
SCHEMBL4437822 0.85 ATM (0.53) ATMVHLFOLH1
SCHEMBL4430311 0.84 ATM (0.51) ATMVHLPRSS1TPSAB1MMP2

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