SCHEMBL8720126

SCHEMBL8720126

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

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EEF2K O00418 3/20 0.44
MMP2 P08253 6/20 0.38
MMP9 P14780 6/20 0.38
MMP13 P45452 5/20 0.38
MMP1 P03956 4/20 0.38
MMP3 P08254 4/20 0.38
MMP7 P09237 4/20 0.38
POLB P06746 1/20 0.37
ADAMTS4 O75173 1/20 0.36
HSD17B10 Q99714 1/20 0.35
F2 P00734 1/20 0.35
F2R P25116 1/20 0.35
F10 P00742 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL7303719 0.90 EEF2K (0.36) EEF2KMMP2MMP9MMP13MMP1
SCHEMBL8721875 0.86 F2 (0.45) MMP2MMP9POLBHSD17B10F2
SCHEMBL8719579 0.84 L3MBTL1 (0.41) EEF2KMMP2MMP9MMP13MMP1
SCHEMBL8717243 0.82 SLC1A3 (0.38) HSD17B10F2F10
SCHEMBL8716861 0.81 MMP2 (0.34) MMP2MMP9MMP13MMP1MMP3
Hydrochloric Acid SCHEMBL8947551 0.80 F2 (0.57) F2
SCHEMBL8717115 0.80 F10 (0.32) F10
Hydrochloric Acid SCHEMBL7306115 0.80 F2 (0.47) HSD17B10F2ALDH1A1
SCHEMBL8717263 0.79 ADAMTS4 (0.47) MMP2MMP9MMP13MMP1MMP3
SCHEMBL8716303 0.78 EEF2K (0.46) EEF2KMMP2MMP9MMP13MMP1

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