SCHEMBL2908727

SCHEMBL2908727

CN(C(=O)CNC(=O)OCc1ccccc1)C1(C(=O)O)CC1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.58
CTSB P07858 2/20 0.58
CTSS P25774 2/20 0.58
CTSK P43235 1/20 0.58
OPRK1 P41145 1/20 0.52
ALDH1A1 P00352 2/20 0.47
CYP3A4 P08684 3/20 0.47
TSHR P16473 2/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HTT P42858 2/20 0.45
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 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
SCHEMBL1188911 0.90 CTSL (0.56) CTSLCTSBCTSSCTSKOPRK1
SCHEMBL8913074 0.84 CTSL (0.69) CTSLCTSBCTSSCTSKOPRK1
SCHEMBL20582129 0.80 ALDH1A1 (0.49) ALDH1A1LMNAMAPK1L3MBTL1
SCHEMBL764273 0.78 CTSL (0.64) CTSLCTSBCTSSCTSKOPRK1
SCHEMBL19174541 0.75 CTSL (0.62) CTSLCTSBCTSSCTSKOPRK1
SCHEMBL26296178 0.75 CTSL (0.62) CTSLCTSBCTSSCTSKOPRK1
SCHEMBL3991791 0.75 ALDH1A1 (0.46) CTSLCTSBCTSSALDH1A1MAPK1
SCHEMBL19031238 0.75 ALDH1A1 (0.46) ALDH1A1MAPK1L3MBTL1
SCHEMBL7657377 0.75 CTSL (0.61) CTSLCTSBCTSSCTSKOPRK1
SCHEMBL2746329 0.74 RORC (0.43) ALDH1A1MAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2217226-A1 PEPTIDE DEFORMYLASE INHIBITORS GlaxoSmithKline LLC (US) 2010-08-18 EP disclosed
WO-2009061879-A1 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-05-14 WO disclosed