SCHEMBL7964056

SCHEMBL7964056

CCOC(=O)C(NC(=O)OC(C)(C)C)C(=O)NC(c1ccccc1)C(OC)OC

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.46
CTSS P25774 4/20 0.46
MMP8 P22894 1/20 0.41
MAPT P10636 1/20 0.41
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
SYK P43405 1/20 0.39
ATM Q13315 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
MMP13 P45452 1/20 0.38
KLK5 Q9Y337 1/20 0.38

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
SCHEMBL10463735 0.77 CTSK (0.49) CTSKCTSSMMP8MAPTSYK
SCHEMBL31477126 0.77 CTSK (0.49) CTSKCTSSMMP8MAPTSYK
SCHEMBL31503086 0.76 CTSK (0.48) CTSKCTSSMMP8MAPTCTSL
SCHEMBL31477667 0.76 CTSK (0.48) CTSKCTSSMMP8MAPTCTSL
SCHEMBL31503119 0.76 CTSK (0.48) CTSKCTSSMMP8MAPTCTSL
SCHEMBL27833801 0.76 CTSK (0.62) CTSKCTSSMMP8MAPTSYK
SCHEMBL10240502 0.76 CTSK (0.62) CTSKCTSSMMP8MAPTSYK
SCHEMBL29005173 0.74 ALDH1A1 (0.54) CTSKCTSSMAPT
SCHEMBL561366 0.73 CYP1A2 (0.55) CTSKCTSSMAPT
SCHEMBL21603014 0.72 CYP1A2 (0.49) CTSKCTSSMAPT

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
US-6271238-B1 USEFUL IN TREATING AND PREVENTING DISEASES INVOLVING CHYMOTRYPSIN TYPE PROTEASES WHICH ARE RELATED TO ASTHMA, ALLERGY, INFLAMMATIONS, RHEUMATISM, HYPERTENSION, HEART FAILURE, MYOCARDIAL INFARCTION, AND CARDIAC HYPERTROPHY NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2001-08-07 US disclosed
EP-0936216-A1 NOVEL ACETAMIDE DERIVATIVES AND PROTEASE INHIBITORS NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1999-08-18 EP disclosed