SCHEMBL9833829

SCHEMBL9833829

CC(C)CCNC(=O)C(CC(O)C(N)CC(C)C)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LAP3 P28838 4/20 0.55
ANPEP P15144 3/20 0.55
DNPEP Q9ULA0 3/20 0.55
RNPEP Q9H4A4 2/20 0.55
CTSS P25774 2/20 0.46
CTSK P43235 2/20 0.46
REN P00797 2/20 0.45
POLB P06746 2/20 0.44
CTSL P07711 1/20 0.44
CNR1 P21554 2/20 0.43
CNR2 P34972 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
THRB P10828 1/20 0.42
KDM4A O75164 1/20 0.42

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
SCHEMBL5184565 0.78 POLB (0.52) LAP3ANPEPDNPEPRNPEPPOLB
SCHEMBL9831068 0.77 BACE1 (0.49)
SCHEMBL7589901 0.76 LAP3 (0.70) LAP3ANPEPDNPEPRNPEPREN
SCHEMBL7679505 0.76 LAP3 (0.70) LAP3ANPEPDNPEPRNPEPREN
SCHEMBL6435664 0.73 CNR1 (0.75) LAP3ANPEPDNPEPRNPEPCNR1
SCHEMBL12381969 0.73 CTSK (0.56) CTSSCTSKPOLBCTSLCNR1
SCHEMBL7666024 0.73 CNR1 (0.60) LAP3ANPEPDNPEPRNPEPCNR1
SCHEMBL27684530 0.73 POLB (0.74) ANPEPCTSSCTSKPOLBCTSL
SCHEMBL7319572 0.73 CNR1 (0.60) LAP3ANPEPDNPEPRNPEPCNR1
SCHEMBL9833327 0.72 ALDH1A1 (0.54) LAP3ANPEPDNPEPRNPEPREN

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-0258289-A4 PEPTIDE ANALOGS 1991-01-02 EP disclosed
EP-0258289-A1 PEPTIDE ANALOGS ABBOTT LABORATORIES (US) 1988-03-09 EP disclosed
WO-1987004349-A1 PEPTIDE ANALOGS DELLARIA JOSEPH 1987-07-30 WO disclosed