SCHEMBL11397441

SCHEMBL11397441

CCN1CCN(C(=O)N[C@H](CCSC)C(=O)NC2CNC2=O)C(=O)C1=O

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.35
▸ NAAA Q02083 5/20 0.34
▸ GFER P55789 2/20 0.34
▸ GAA P10253 1/20 0.33
▸ L3MBTL1 Q9Y468 3/20 0.33
▸ CTSD P07339 1/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ PDE3A Q14432 1/20 0.32
▸ SLC22A6 Q4U2R8 1/20 0.32
▸ SLC22A8 Q8TCC7 1/20 0.32
▸ SLC22A11 Q9NSA0 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32

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
SCHEMBL10680087 0.86 NAAA (0.36) CTSLNAAAGAAL3MBTL1MAPT
SCHEMBL11408442 0.86 CTSL (0.37) CTSLNAAAGAAL3MBTL1MAPT
SCHEMBL10553603 0.85 NAAA (0.35) CTSLNAAAGAAL3MBTL1MAPT
SCHEMBL10550219 0.83 NAAA (0.37) CTSLNAAAGAAL3MBTL1MAPT
SCHEMBL11283793 0.81 LMNA (0.33) GFERGAAL3MBTL1
SCHEMBL10546010 0.79 NAAA (0.45) NAAAGAAL3MBTL1
SCHEMBL10546313 0.78 TDP1 (0.33) CTSLNAAAMAPTPDE3ASLC22A6
SCHEMBL10546296 0.78 TDP1 (0.33) CTSLMAPTPDE3ASLC22A6SLC22A8
SCHEMBL10695608 0.77 MEN1 (0.46) CTSLNAAAMAPTPDE3ASLC22A6
SCHEMBL10972386 0.76 NAAA (0.34) CTSLNAAAGAAL3MBTL1MAPT

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-0021678-A1 1-Sulpho-2-oxoazetidine derivatives, their production and pharmaceutical compositions thereof Takeda Chemical Industries, Ltd. (JP) 1981-01-07 — — EP disclosed
Send feedback