SCHEMBL8736201

SCHEMBL8736201

COP(=O)(OC)C(CCc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
ITGA4 P13612 1/20 0.44
ITGB7 P26010 1/20 0.44
PRSS1 P07477 1/20 0.41
CTSG P08311 1/20 0.41
CTRB1 P17538 1/20 0.41
CMA1 P23946 1/20 0.41
MMP1 P03956 1/20 0.40
MMP3 P08254 1/20 0.40
MMP9 P14780 1/20 0.40
ANPEP P15144 2/20 0.40
ERAP1 Q9NZ08 2/20 0.40
NPR3 P17342 1/20 0.40
ERAP2 Q6P179 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
HPGD P15428 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
SCHEMBL4835676 0.87 CTSK (0.45) CTSSCTSKITGA4ITGB7PRSS1
SCHEMBL10441697 0.86 KMT2A (0.47) PRSS1CTSGCTRB1CMA1ANPEP
SCHEMBL7061908 0.78 CTSK (0.50) CTSSCTSKITGA4ITGB7PRSS1
SCHEMBL13570858 0.77 LTA4H (0.51) MEN1KMT2A
SCHEMBL487448 0.77 CTSK (0.49) CTSSCTSKITGA4ITGB7PRSS1
SCHEMBL487446 0.77 CTSK (0.49) CTSSCTSKITGA4ITGB7PRSS1
SCHEMBL12221989 0.76 CTSK (0.48) CTSSCTSKITGA4ITGB7PRSS1
SCHEMBL2307679 0.76 LTA4H (0.55) CTSSCTSKITGA4ITGB7MMP1
SCHEMBL27878054 0.76 LTA4H (0.55) CTSSCTSKITGA4ITGB7MMP1
SCHEMBL2307682 0.76 LTA4H (0.55) CTSSCTSKITGA4ITGB7MMP1

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-5783573-A Pharmaceuticals which promote gastrointestinal blood circulation SOLVAY PHARMACEUTICALS GMBH (DE) 1998-07-21 US disclosed
US-5677297-A ENZYME INHIBITOR FOR TREATING THE HEART FAILURE TO REDUCE THE CARDIAC PRESSURE, DIURETICS SOLVAY PHARMACEUTICALS GMBH (DE) 1997-10-14 US disclosed