SCHEMBL3826892

SCHEMBL3826892

COC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)[C@](N)(CC(C)(C)C)NC(=O)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.43
KLK5 Q9Y337 2/20 0.43
KLK7 P49862 1/20 0.43
KYNU Q16719 1/20 0.41
CTSS P25774 2/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
MMP8 P22894 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 2/20 0.39
ALOX15 P16050 1/20 0.39
CACNA1B Q00975 4/20 0.39
PPARA Q07869 1/20 0.39
CTSK P43235 2/20 0.39
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38
CYP3A4 P08684 1/20 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
SCHEMBL5048223 0.93 PPARA (0.44) SYKKLK5KLK7CTSSCTSL
SCHEMBL19694832 0.83 KYNU (0.56) SYKKLK5KLK7KYNUCTSS
SCHEMBL19694834 0.83 KYNU (0.56) SYKKLK5KLK7KYNUCTSS
SCHEMBL4256075 0.83 KYNU (0.56) SYKKLK5KLK7KYNUCTSS
SCHEMBL3826896 0.79 CTSS (0.41) SYKCTSSCTSLCTSBMEN1
SCHEMBL14190228 0.78 CTSL (0.61) SYKKLK5KLK7KYNUCTSS
SCHEMBL29398102 0.78 SYK (0.57) SYKKLK5KLK7CTSSCTSL
SCHEMBL19327506 0.78 KLK5 (0.51) SYKKLK5KLK7KYNUCTSS
SCHEMBL19327507 0.78 KLK5 (0.51) SYKKLK5KLK7KYNUCTSS
SCHEMBL5870038 0.77 KLK5 (0.64) SYKKLK5KLK7KYNUCTSS

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