SCHEMBL8893470

SCHEMBL8893470

COC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](c1ccccc1)S(C)(=O)=O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.45
CTSS P25774 3/20 0.45
KLK5 Q9Y337 2/20 0.45
MAPT P10636 2/20 0.43
KMT2A Q03164 1/20 0.42
GABRB1 P18505 1/20 0.41
GABRB2 P47870 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40
ATM Q13315 2/20 0.40
MMP13 P45452 2/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39

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
SCHEMBL8896638 1.00 CTSK (0.45) CTSKCTSSKLK5MAPTKMT2A
SCHEMBL8383542 0.90 CTSK (0.47) CTSKCTSSMAPTGABRB1GABRB2
SCHEMBL8383534 0.90 CTSK (0.47) CTSKCTSSMAPTGABRB1GABRB2
SCHEMBL1883313 0.82 CTSK (0.50) CTSKCTSSKLK5MAPTKMT2A
SCHEMBL12069801 0.81 KLK5 (0.51) CTSKCTSSKLK5MAPTKMT2A
SCHEMBL8895040 0.81 KLK5 (0.51) CTSKCTSSKLK5MAPTKMT2A
SCHEMBL8231291 0.81 KLK5 (0.51) CTSKCTSSKLK5MAPTKMT2A
SCHEMBL13163801 0.80 GABRB1 (0.48) CTSKCTSSKLK5MAPTKMT2A
SCHEMBL16295895 0.80 CTSK (0.48) CTSKCTSSKLK5MAPTKMT2A
SCHEMBL8895205 0.80 GABRB1 (0.48) CTSKCTSSKLK5MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5643872-A ANTIAGGLOMERANTS FOR PLATELETS, ANTICOAGULANTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-01 US disclosed