SCHEMBL8716303

SCHEMBL8716303

CCOC(=O)CN(C(=O)[C@H](CC(=O)O)NS(=O)(=O)c1ccc(C(C)(C)C)cc1)C1CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EEF2K O00418 3/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SLC1A2 P43004 1/20 0.39
F10 P00742 1/20 0.38
POLB P06746 1/20 0.37
HCRTR2 O43614 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ELANE P08246 1/20 0.35
ITGB3 P05106 1/20 0.35
ITGAV P06756 1/20 0.35
ITGA2B P08514 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP7 P09237 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35

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
SCHEMBL8721787 0.93 EEF2K (0.46) EEF2KALDH1A1MAPTSLC1A2POLB
SCHEMBL7330308 0.91 ALDH1A1 (0.42) EEF2KALDH1A1MAPTMEN1KMT2A
SCHEMBL8717263 0.89 ADAMTS4 (0.47) MMP1MMP2MMP3MMP7MMP9
SCHEMBL7343087 0.85 EEF2K (0.40) EEF2KALDH1A1MAPTSLC1A2POLB
SCHEMBL7294689 0.84 F2 (0.47) F10
SCHEMBL9004947 0.84 F2 (0.47) F10
SCHEMBL7335977 0.83 MMP13 (0.43) MMP1MMP2MMP3MMP7MMP9
SCHEMBL8720064 0.81 F2 (0.50) F10
SCHEMBL8719561 0.81 F2 (0.44) SLC1A2F10ITGB3ITGA2B
SCHEMBL8717231 0.80 F2 (0.51) F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5763604-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1998-06-09 US disclosed
US-5677448-A CHEMICAL INTERMEDIATES FOR MAKING ANTAGONIST OF THROMBIN, TREATING THROMBOSIS, STROKE, INFLAMMATION, ARTERIOSCLEROSIS, CARDIOVASCULAR DISORDERS HOFFMANN-LA ROCHE INC. (US) 1997-10-14 US disclosed
US-5578594-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1996-11-26 US disclosed
US-5405854-A Anticoagulants HOFFMANN-LA ROCHE INC. (US) 1995-04-11 US disclosed