SCHEMBL8580183

SCHEMBL8580183

CC1(C)OC[C@@H](COS(C)(=O)=O)N1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.32
PPARA Q07869 3/20 0.30
SPHK1 Q9NYA1 1/20 0.30
PPARG P37231 1/20 0.30

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
SCHEMBL8580187 1.00 CA2 (0.32) CA2PPARASPHK1PPARG
SCHEMBL5548054 0.83 PDK1 (0.32) SPHK1
SCHEMBL17020050 0.82 SPHK1 (0.46) SPHK1
SCHEMBL3465570 0.81
SCHEMBL3465573 0.81
SCHEMBL4385959 0.79 STAT3 (0.39)
SCHEMBL8577324 0.79 STAT3 (0.39)
SCHEMBL8577320 0.79 STAT3 (0.39)
SCHEMBL1067656 0.77 SPHK1 (0.31) SPHK1
SCHEMBL15270881 0.77 SPHK1 (0.31) SPHK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5763436-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1998-06-09 US disclosed
US-5595999-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1997-01-21 US disclosed
US-5583133-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1996-12-10 US disclosed
US-5532232-A INHIBIT THROMBIN INDUCED PLATELET AGGREGATION; FIBRINOGEN ANTICOAGULANTS IN BLOOD HOFFMANN-LA ROCHE INC. (US) 1996-07-02 US disclosed
US-5393760-A Cardiovascular disorders, antitumor agents HOFFMANN-LA ROCHE INC. (US) 1995-02-28 US disclosed
US-5260307-A Inhibit thrombin-induced platlet aggregation and clotting of fibrogen in plasma HOFMANN-LA ROCHE INC. (US) 1993-11-09 US disclosed