SCHEMBL3819735

SCHEMBL3819735

CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccccc1)[C@@H](CC(C)(C)C)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 6/20 0.48
PSEN2 P49810 6/20 0.48
APH1B Q8WW43 6/20 0.48
NCSTN Q92542 6/20 0.48
APH1A Q96BI3 6/20 0.48
PSENEN Q9NZ42 6/20 0.48
MAPK1 P28482 1/20 0.47
REN P00797 2/20 0.46
PPARA Q07869 2/20 0.45
PPARG P37231 1/20 0.45
ACE P12821 1/20 0.44
AAK1 Q2M2I8 1/20 0.44
BACE1 P56817 3/20 0.44
CTSS P25774 2/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSK P43235 1/20 0.43

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
SCHEMBL3822986 0.86 MAPK1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL28485547 0.84 ACE (0.56) MAPK1PPARAPPARGACECTSS
SCHEMBL28485548 0.84 ACE (0.56) MAPK1PPARAPPARGACECTSS
SCHEMBL11598192 0.82 REN (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL23040232 0.82 PPARA (0.49) PPARAPPARGACECTSSCTSL
SCHEMBL26926036 0.82 PPARA (0.49) PPARAPPARGACECTSSCTSL
SCHEMBL23040267 0.82 PPARA (0.49) PPARAPPARGACECTSSCTSL
SCHEMBL3556150 0.80 ACE (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3559433 0.80 ACE (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29469354 0.78 CTSS (0.50) PSEN1PSEN2APH1BNCSTNAPH1A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1625153-B1 ACYLATED LYSOBACTIN-TYPE NONADEPSIPEPTIDES AICURIS GMBH & CO KG (DE) 2009-08-26 EP disclosed
EP-1625153-A1 ACYLATED LYSOBACTIN-TYPE NONADEPSIPEPTIDES Bayer HealthCare AG (DE) 2006-02-15 EP disclosed
WO-2004099239-A1 ACYLATED LYSOBACTIN-TYPE NONADEPSIPEPTIDES BAYER HEALTHCARE AG (DE) 2004-11-18 WO disclosed