SCHEMBL7142597

SCHEMBL7142597

COc1cc(OCc2ccc(C(=O)O)cc2)c(C(Nc2ccc(C#N)cc2)C(=O)NCc2ccccc2)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 8/20 0.57
PRSS1 P07477 8/20 0.57
F7 P08709 8/20 0.57
F10 P00742 7/20 0.57
KDM4E B2RXH2 1/20 0.51
PRSS2 P07478 1/20 0.46
F3 P13726 1/20 0.46
PRSS3 P35030 1/20 0.46
MAPT P10636 3/20 0.44
RXRA P19793 1/20 0.44
POLB P06746 1/20 0.44
THRB P10828 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
CTDSP1 Q9GZU7 2/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP19A1 P11511 1/20 0.42
SGMS2 Q8NHU3 1/20 0.42
NR1H4 Q96RI1 1/20 0.42

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
SCHEMBL7146130 0.95 F2 (0.57) F2PRSS1F7F10KDM4E
SCHEMBL7146126 0.95 F2 (0.57) F2PRSS1F7F10KDM4E
SCHEMBL7145663 0.93 F2 (0.52) F2PRSS1F7F10KDM4E
SCHEMBL5883284 0.92 F2 (0.54) F2PRSS1F7F10KDM4E
SCHEMBL7147573 0.87 F2 (0.74) F2PRSS1F7F10KDM4E
SCHEMBL7140382 0.87 F2 (0.49) F2PRSS1F7F10MAPT
SCHEMBL7150884 0.87 F2 (0.61) F2PRSS1F7F10KDM4E
SCHEMBL7144188 0.86 F7 (0.58) F2PRSS1F7F10KDM4E
Acetic Acid SCHEMBL8129058 0.86 F2 (0.72) F2PRSS1F7F10KDM4E
SCHEMBL8115021 0.85 F7 (0.48) F2PRSS1F7F10PRSS2

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