SCHEMBL8728480

SCHEMBL8728480

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

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSL P07711 13/20 0.52
CTSS P25774 13/20 0.52
CTSK P43235 8/20 0.52
CTSB P07858 5/20 0.50
BCHE P06276 2/20 0.48
ACHE P22303 2/20 0.48
CACNA1F O60840 1/20 0.48
CACNA1D Q01668 1/20 0.48
CACNA1S Q13698 1/20 0.48
CACNA1C Q13936 1/20 0.48
TACR1 P25103 1/20 0.48

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
SCHEMBL2296521 0.88 CTSL (0.55) CTSLCTSSCTSKCTSBTACR1
SCHEMBL6947033 0.86 TACR1 (0.53) CTSLCTSSCTSKCTSBTACR1
SCHEMBL24853554 0.86 CTSS (0.60) CTSLCTSSCTSKCTSBTACR1
SCHEMBL29249016 0.86 CTSS (0.60) CTSLCTSSCTSKCTSBTACR1
SCHEMBL16357709 0.84 CTSS (0.67) CTSLCTSSCTSKCTSBTACR1
SCHEMBL24629286 0.84 CTSS (0.52) CTSLCTSSCTSKCTSB
SCHEMBL24852467 0.83 CTSS (0.60) CTSLCTSSCTSKCTSBTACR1
SCHEMBL1186365 0.83 CTSS (0.60) CTSLCTSSCTSKCTSBTACR1
SCHEMBL29127287 0.81 BCHE (0.58) CTSLCTSSCTSKBCHEACHE
SCHEMBL715494 0.81 BCHE (0.58) CTSLCTSSCTSKBCHEACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5756685-A MEDICAL DIAGNOSIS; THERAPY NEORX CORPORATION (US) 1998-05-26 US disclosed
US-5625075-A Metal radionuclide chelating compounds for improved chelation kinetics NEORX CORPORATION (US) 1997-04-29 US disclosed
US-5556982-A Metal radionuclide labeled proteins for diagnosis and therapy NEORX CORPORATION (US) 1996-09-17 US disclosed
US-5436352-A Metal radionuclide chelating compounds for improved chelation kinetics NEORX CORPORATION (US) 1995-07-25 US disclosed
US-5242679-A Complexes for imaging tumors NEORX CORPORATION (US) 1993-09-07 US disclosed
EP-0344724-B1 METAL RADIONUCLIDE CHELATING COMPOUNDS FOR IMPROVED CHELATION KINETICS NEORX CORPORATION (US) 1993-08-11 EP disclosed
US-5175343-A For detection, radiotherapy and radeoimaging of tumors NEORX CORPORATION (US) 1992-12-29 US disclosed
US-5120526-A Chelate compounds NEORX CORPORATION (US) 1992-06-09 US disclosed
US-5075099-A Metal radionuclide chelating compounds for improved chelation kinetics NEORX CORPORATION (US) 1991-12-24 US disclosed
US-5037630-A Chelated polypeptides specific for tumors, improved imaging NEORX CORPORATION (US) 1991-08-06 US disclosed
US-4988496-A Metal radionuclide chelating compounds for improved chelation kinetics NEORX CORPORATION (US) 1991-01-29 US disclosed
US-4897255-A Metal radionuclide labeled proteins for diagnosis and therapy NEORX CORPORATION (US) 1990-01-30 US disclosed
EP-0344724-A2 Metal radionuclide chelating compounds for improved chelation kinetics NEORX CORPORATION (US) 1989-12-06 EP disclosed
EP-0300431-A2 Method of radiolabeling chelating compounds comprising sulfur atoms with metal radionuclides NEORX CORPORATION (US) 1989-01-25 EP disclosed