SCHEMBL13723685

SCHEMBL13723685

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

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.38
CTSS P25774 2/20 0.38
CTSK P43235 2/20 0.38
CTSB P07858 1/20 0.38
ALDH1A1 P00352 1/20 0.37
SCN9A Q15858 3/20 0.36
REN P00797 1/20 0.34
MAPK1 P28482 1/20 0.34
LTA4H P09960 1/20 0.34
CAPN1 P07384 1/20 0.34
AAK1 Q2M2I8 1/20 0.33
KISS1R Q969F8 1/20 0.33
SLC7A5 Q01650 1/20 0.33
LAP3 P28838 1/20 0.33

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
SCHEMBL30093769 0.88 ALDH1A1 (0.47) CTSLCTSSCTSKCTSBALDH1A1
SCHEMBL31741227 0.88 ALDH1A1 (0.47) CTSLCTSSCTSKCTSBALDH1A1
SCHEMBL30645059 0.81 CTSL (0.41) CTSLCTSSCTSKCTSBALDH1A1
SCHEMBL18088732 0.81 SLC7A5 (0.47) ALDH1A1SCN9ALTA4HAAK1SLC7A5
SCHEMBL12938924 0.78 ALDH1A1 (0.43) ALDH1A1LTA4HKISS1RSLC7A5LAP3
SCHEMBL22651723 0.77 GRN (0.37) MAPK1
SCHEMBL31669627 0.77 FOLH1 (0.40) CTSLCTSSCTSKCTSBREN
SCHEMBL14298799 0.76 ALDH1A1 (0.47) ALDH1A1KISS1RSLC7A5LAP3
SCHEMBL13096227 0.75 ECE1 (0.41) ALDH1A1LTA4HSLC7A5LAP3
SCHEMBL25455764 0.75 GRN (0.35) MAPK1

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