SCHEMBL2908157

SCHEMBL2908157

O=C(NC1(C(=O)O)CCN(C(=O)O)CC1)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.50
CTSL P07711 5/20 0.50
CTSB P07858 4/20 0.50
CTSK P43235 5/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CCR1 P32246 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
DPP4 P27487 1/20 0.42
KCNH2 Q12809 1/20 0.42
DPP7 Q9UHL4 1/20 0.42
MGLL Q99685 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 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
SCHEMBL25199386 0.92 CTSS (0.51) CTSSCTSLCTSBCTSKMEN1
SCHEMBL25199383 0.92 CTSS (0.51) CTSSCTSLCTSBCTSKMEN1
SCHEMBL2532056 0.90 CTSS (0.48) CTSSCTSLCTSBCTSKMEN1
SCHEMBL143763 0.87 CTSS (0.57) CTSSCTSLCTSBCTSKSMN1; SMN2
SCHEMBL4179836 0.85 CTSS (0.62) CTSSCTSLCTSBCTSKSMN1; SMN2
SCHEMBL1151498 0.85 CTSS (0.65) CTSSCTSLCTSBCTSKSMN1; SMN2
SCHEMBL2206561 0.85 MEN1 (0.47) CTSSCTSLCTSBMEN1KMT2A
SCHEMBL2796110 0.85 CTSS (0.47) CTSSCTSLCTSBCTSKCCR1
SCHEMBL3331774 0.84 CTSL (0.47) CTSSCTSLCTSBMEN1KMT2A
SCHEMBL8981223 0.83 CTSS (0.67) CTSSCTSLCTSBCTSKMEN1

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-2164829-A1 A NEW PEPTIDE DEFORMYLASE INHIBITOR COMPOUND AND MANUFACTURING PROCESS THEREOF Ildong Pharmaceutical Co., Ltd. (KR) 2010-03-24 EP disclosed
WO-2008150089-A1 A NEW PEPTIDE DEFORMYLASE INHIBITOR COMPOUND AND MANUFACTURING PROCESS THEREOF ILDONG PHARMACEUTICAL CO., LTD. (KR) 2008-12-11 WO disclosed