SCHEMBL8914440

SCHEMBL8914440

CCOC(=O)CC(C)(C#N)NC(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 10/20 0.49
CTSL P07711 8/20 0.46
CTSB P07858 5/20 0.46
CTSK P43235 3/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
PPID Q08752 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPRB P23467 1/20 0.41
ACP1 P24666 1/20 0.41
SYK P43405 1/20 0.41

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
SCHEMBL15686296 0.86 CTSS (0.54) CTSSCTSLCTSBCTSKMEN1
SCHEMBL12385412 0.84 CTSS (0.46) CTSSCTSLCTSBCTSKMEN1
SCHEMBL16449965 0.84 CTSS (0.52) CTSSCTSLCTSBCTSKMEN1
SCHEMBL2297940 0.83 MEN1 (0.46) CTSSCTSLCTSBCTSKMEN1
SCHEMBL19805060 0.82 CTSS (0.51) CTSSCTSLCTSBCTSKMEN1
SCHEMBL15837157 0.82 MEN1 (0.55) CTSSCTSLCTSBCTSKMEN1
SCHEMBL1150695 0.80 CTSS (0.58) CTSSCTSLCTSBCTSKMEN1
SCHEMBL15837113 0.80 CTSS (0.51) CTSSCTSLCTSBCTSKMEN1
SCHEMBL16450015 0.79 CTSS (0.56) CTSSCTSLCTSBCTSKMEN1
SCHEMBL16449982 0.79 MEN1 (0.52) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5625075-A Metal radionuclide chelating compounds for improved chelation kinetics NEORX CORPORATION (US) 1997-04-29 US disclosed
US-5436352-A Metal radionuclide chelating compounds for improved chelation kinetics NEORX CORPORATION (US) 1995-07-25 US disclosed
EP-0344724-B1 METAL RADIONUCLIDE CHELATING COMPOUNDS FOR IMPROVED CHELATION KINETICS NEORX CORPORATION (US) 1993-08-11 EP disclosed
US-5075099-A Metal radionuclide chelating compounds for improved chelation kinetics NEORX CORPORATION (US) 1991-12-24 US disclosed
US-4988496-A Metal radionuclide chelating compounds for improved chelation kinetics NEORX CORPORATION (US) 1991-01-29 US disclosed
EP-0344724-A2 Metal radionuclide chelating compounds for improved chelation kinetics NEORX CORPORATION (US) 1989-12-06 EP disclosed