SCHEMBL7443876

SCHEMBL7443876

CCCCOC(=O)NC(CC#CCNC(=O)OCc1ccccc1)C(C#N)OC(C)=O

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSL P07711 13/20 0.48
CTSS P25774 12/20 0.48
CTSK P43235 9/20 0.43
CTSB P07858 5/20 0.43
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL7445093 0.85 CTSS (0.47) CTSLCTSSCTSKCTSB
SCHEMBL18662370 0.77 CTSS (0.54) CTSLCTSSCTSKCTSB
SCHEMBL17275392 0.77 CTSS (0.54) CTSLCTSSCTSKCTSB
SCHEMBL7318723 0.74 SMN1; SMN2 (0.52) CTSLCTSSCTSKCTSBALDH1A1
SCHEMBL11638722 0.74 ALDH1A1 (0.52) CTSLCTSSCTSKALDH1A1CYP3A4
SCHEMBL8770105 0.73 CTSL (0.45) CTSLCTSSCTSKCTSBALDH1A1
SCHEMBL7201466 0.73 CTSS (0.54) CTSLCTSSCTSKCTSB
SCHEMBL7201468 0.73 CTSS (0.54) CTSLCTSSCTSKCTSB
SCHEMBL13430765 0.73 MAPT (0.54) CTSLCTSSCTSBMAPK1L3MBTL1
SCHEMBL8326965 0.71 CTSC (0.56) CTSLCTSSCTSKCTSBCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0886647-B1 SERINE PROTEASE INHIBITORS AKZO NOBEL NV (NL) 2002-07-24 EP disclosed
US-6410684-B1 ENZYME INHIBITOR FOR USE IN THE TREATMENT OF THROMBOSIS AKZO NOBEL N.V. (NL) 2002-06-25 US disclosed
EP-0886647-A1 SERINE PROTEASE INHIBITORS Akzo Nobel N.V. (NL) 1998-12-30 EP disclosed
WO-1997031937-A1 SERINE PROTEASE INHIBITORS AKZO NOBEL N.V. (NL) 1997-09-04 WO disclosed