SCHEMBL4428529

SCHEMBL4428529

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

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.53
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
FOLH1 Q04609 4/20 0.41
VHL P40337 4/20 0.41
MAPT P10636 1/20 0.40
POLB P06746 1/20 0.38
GRN P28799 2/20 0.38
SORT1 Q99523 2/20 0.38

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
SCHEMBL4428531 1.00 ATM (0.53) ATMALDH1A1KMT2AMEN1LMNA
SCHEMBL4434719 0.86 ATM (0.55) ATMVHL
SCHEMBL4434711 0.86 ATM (0.55) ATMVHL
SCHEMBL4432443 0.85 ATM (0.54) ATMVHL
SCHEMBL4432439 0.85 ATM (0.54) ATMVHL
SCHEMBL26079416 0.85 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1LMNAFOLH1
SCHEMBL4439283 0.85 ATM (0.54) ATMFOLH1VHLMAPT
SCHEMBL4439286 0.85 ATM (0.54) ATMFOLH1VHLMAPT
SCHEMBL4437826 0.84 ATM (0.53) ATMFOLH1VHLPOLB
SCHEMBL4437822 0.84 ATM (0.53) ATMFOLH1VHLPOLB

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