SCHEMBL3825352

SCHEMBL3825352

CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.78

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.78
CTSL P07711 2/20 0.71
CTSS P25774 1/20 0.71
CTSK P43235 1/20 0.71
CCKBR P32239 6/20 0.65
MAPT P10636 2/20 0.65
TP53 P04637 1/20 0.65
REN P00797 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.63
TACR1 P25103 1/20 0.62
SCN9A Q15858 1/20 0.61

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
SCHEMBL30638855 1.00 ACE (0.78) ACECTSLCTSSCTSKCCKBR
SCHEMBL27885189 1.00 ACE (0.78) ACECTSLCTSSCTSKCCKBR
SCHEMBL27885190 1.00 ACE (0.78) ACECTSLCTSSCTSKCCKBR
SCHEMBL31484559 1.00 ACE (0.78) ACECTSLCTSSCTSKCCKBR
SCHEMBL27902245 0.96 CTSL (0.76) ACECTSLCTSSCTSKCCKBR
SCHEMBL27871524 0.96 CTSL (0.76) ACECTSLCTSSCTSKCCKBR
SCHEMBL11403615 0.96 ACE (0.84) ACECTSLCTSSCTSKCCKBR
SCHEMBL30643016 0.94 ACE (0.71) ACECTSLCTSSCTSKCCKBR
SCHEMBL27902195 0.94 ACE (0.71) ACECTSLCTSSCTSKCCKBR
SCHEMBL27902194 0.94 ACE (0.71) ACECTSLCTSSCTSKCCKBR

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 1 patent. 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