SCHEMBL7148352

SCHEMBL7148352

COc1cc(C(Nc2ccc(C(=N)NO)cc2)C(=O)NCc2ccccc2)ccc1Oc1cccc(C(=O)O)c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F7 P08709 9/20 0.61
F2 P00734 8/20 0.61
PRSS1 P07477 7/20 0.61
F10 P00742 7/20 0.61
F3 P13726 4/20 0.48
PRSS2 P07478 2/20 0.48
PRSS3 P35030 2/20 0.48
TTR P02766 1/20 0.43
HDAC8 Q9BY41 2/20 0.40
F11 P03951 1/20 0.40
MMP13 P45452 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PPARG P37231 2/20 0.39
PPARD Q03181 2/20 0.39
PPARA Q07869 2/20 0.39
MCHR1 Q99705 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HIF1A Q16665 1/20 0.38

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
SCHEMBL7149166 0.93 F7 (0.63) F7F2PRSS1F10F3
SCHEMBL7143824 0.91 F7 (0.73) F7F2PRSS1F10F3
SCHEMBL7146394 0.87 F7 (0.62) F7F2PRSS1F10F3
SCHEMBL7147639 0.87 F7 (0.56) F7F2PRSS1F10F3
SCHEMBL7150807 0.85 F2 (0.82) F7F2PRSS1F10F3
SCHEMBL7150811 0.85 F2 (0.82) F7F2PRSS1F10F3
SCHEMBL7150803 0.85 F2 (0.82) F7F2PRSS1F10F3
SCHEMBL7167218 0.85 F2 (0.74) F7F2PRSS1F10F3
SCHEMBL7167223 0.85 F2 (0.74) F7F2PRSS1F10F3
SCHEMBL7297747 0.85 F2 (0.74) F7F2PRSS1F10F3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0921116-B1 N-(4-carbamimido-phenyl)-glycine amide derivatives HOFFMANN LA ROCHE (CH) 2003-06-18 EP disclosed
US-6140353-A USED AS MEDICAMENTS FOR THE TREATMENT AND/OR PREVENTION OF THROMBOSES, APOPLEXY, CARDIAC INFARCTION, INFLAMMATION AND ARTERIOSCLEROSIS OR AS ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. (US) 2000-10-31 US disclosed
EP-0921116-A1 N-(4-carbamimido-phenyl)-glycine amide derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-06-09 EP disclosed