SCHEMBL4430309

SCHEMBL4430309

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

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.51
VHL P40337 4/20 0.45
PRSS1 P07477 1/20 0.40
TPSAB1 Q15661 1/20 0.40
ECE1 P42892 2/20 0.38
MMP2 P08253 1/20 0.38
ANPEP P15144 1/20 0.38
F2 P00734 1/20 0.37
OPRM1 P35372 2/20 0.36
CASP1 P29466 1/20 0.36
ALDH1A1 P00352 1/20 0.35
RAB9A P51151 1/20 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
SCHEMBL4430311 1.00 ATM (0.51) ATMVHLPRSS1TPSAB1ECE1
SCHEMBL4432439 0.89 ATM (0.54) ATMVHLPRSS1TPSAB1MMP2
SCHEMBL4432443 0.89 ATM (0.54) ATMVHLPRSS1TPSAB1MMP2
SCHEMBL4432404 0.88 ATM (0.50) ATMVHLPRSS1TPSAB1MMP2
SCHEMBL4432403 0.88 ATM (0.50) ATMVHLPRSS1TPSAB1MMP2
SCHEMBL4434711 0.85 ATM (0.55) ATMVHLPRSS1TPSAB1MMP2
SCHEMBL4434719 0.85 ATM (0.55) ATMVHLPRSS1TPSAB1MMP2
SCHEMBL4439286 0.84 ATM (0.54) ATMVHLPRSS1TPSAB1MMP2
SCHEMBL4439283 0.84 ATM (0.54) ATMVHLPRSS1TPSAB1MMP2
SCHEMBL4440608 0.83 ATM (0.50) 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