SCHEMBL4434719

SCHEMBL4434719

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

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.55
VHL P40337 4/20 0.42
TGFBR1 P36897 3/20 0.41
PRSS1 P07477 1/20 0.40
TPSAB1 Q15661 1/20 0.40
MMP2 P08253 1/20 0.37
ANPEP P15144 1/20 0.37
CTSS P25774 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 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
SCHEMBL4434711 1.00 ATM (0.55) ATMVHLTGFBR1PRSS1TPSAB1
SCHEMBL31515409 0.95 ATM (0.50) ATMVHLTGFBR1PRSS1TPSAB1
SCHEMBL4439283 0.87 ATM (0.54) ATMVHLPRSS1TPSAB1MMP2
SCHEMBL4432439 0.87 ATM (0.54) ATMVHLPRSS1TPSAB1MMP2
SCHEMBL4432443 0.87 ATM (0.54) ATMVHLPRSS1TPSAB1MMP2
SCHEMBL4439286 0.87 ATM (0.54) ATMVHLPRSS1TPSAB1MMP2
SCHEMBL4428531 0.86 ATM (0.53) ATMVHL
SCHEMBL4437826 0.86 ATM (0.53) ATMVHL
SCHEMBL4428529 0.86 ATM (0.53) ATMVHL
SCHEMBL4437822 0.86 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