SCHEMBL8719579

SCHEMBL8719579

CCOC(=O)CCN(C(=O)[C@H](CC(=O)O)NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C1CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 3/20 0.39
HCRTR2 O43614 1/20 0.37
MMP2 P08253 3/20 0.36
MMP9 P14780 2/20 0.36
MMP1 P03956 2/20 0.36
MMP3 P08254 2/20 0.36
MMP7 P09237 2/20 0.36
MMP13 P45452 2/20 0.36
MMP8 P22894 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
GCGR P47871 2/20 0.36
CCR5 P51681 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
F10 P00742 1/20 0.35
EEF2K O00418 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
SCHEMBL7295250 0.91 L3MBTL1 (0.39) L3MBTL1POLBHCRTR2MMP2MMP9
SCHEMBL8720126 0.84 EEF2K (0.44) POLBMMP2MMP9MMP1MMP3
SCHEMBL8721875 0.84 F2 (0.45) POLBMMP2MMP9HSD17B10LMNA
SCHEMBL8721787 0.81 EEF2K (0.46) L3MBTL1POLBMMP2MMP9MMP1
SCHEMBL8717243 0.80 SLC1A3 (0.38) HSD17B10GAAF10
SCHEMBL8716861 0.80 MMP2 (0.34) POLBMMP2MMP9MMP1MMP3
SCHEMBL8717115 0.79 F10 (0.32) L3MBTL1F10
SCHEMBL8716303 0.78 EEF2K (0.46) L3MBTL1POLBHCRTR2MMP2MMP9
SCHEMBL8717263 0.78 ADAMTS4 (0.47) MMP2MMP9MMP1MMP3MMP7
SCHEMBL7298351 0.77 F2 (0.43) POLBMMP2MMP9MMP13HSD17B10

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