SCHEMBL8895205

SCHEMBL8895205

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

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GABRB1 P18505 1/20 0.48
GABRB2 P47870 1/20 0.48
MAPT P10636 1/20 0.48
CTSK P43235 4/20 0.48
CTSS P25774 3/20 0.48
KLK5 Q9Y337 2/20 0.47
KMT2A Q03164 1/20 0.45
ATM Q13315 1/20 0.42
PPARG P37231 3/20 0.41
PPARA Q07869 3/20 0.41
PPARD Q03181 2/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41

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
SCHEMBL13163801 1.00 GABRB1 (0.48) GABRB1GABRB2MAPTCTSKCTSS
SCHEMBL8380270 0.89 CTSK (0.50) GABRB1GABRB2MAPTCTSKCTSS
SCHEMBL1883313 0.86 CTSK (0.50) GABRB1GABRB2MAPTCTSKCTSS
SCHEMBL8231291 0.84 KLK5 (0.51) GABRB1GABRB2MAPTCTSKCTSS
SCHEMBL8895040 0.84 KLK5 (0.51) GABRB1GABRB2MAPTCTSKCTSS
SCHEMBL12069801 0.84 KLK5 (0.51) GABRB1GABRB2MAPTCTSKCTSS
SCHEMBL16295895 0.83 CTSK (0.48) GABRB1GABRB2MAPTCTSKCTSS
SCHEMBL30641554 0.81 KLK5 (0.48) GABRB1GABRB2MAPTCTSKCTSS
SCHEMBL8893470 0.80 CTSK (0.45) GABRB1GABRB2MAPTCTSKCTSS
SCHEMBL8896638 0.80 CTSK (0.45) GABRB1GABRB2MAPTCTSKCTSS

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