SCHEMBL7150831

SCHEMBL7150831

COc1ccc(OCC(=O)O)c(C(Nc2ccc(C#N)cc2)C(=O)NCc2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.46
F2 P00734 6/20 0.45
PRSS1 P07477 4/20 0.45
F7 P08709 4/20 0.45
F10 P00742 3/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
SGMS2 Q8NHU3 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
ELANE P08246 2/20 0.40
TP53 P04637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
RAB9A P51151 1/20 0.39

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
SCHEMBL7140382 0.89 F2 (0.49) AKR1B1F2PRSS1F7F10
SCHEMBL7146079 0.89 F7 (0.43) F2PRSS1F7F10ALDH1A1
SCHEMBL7146093 0.89 F7 (0.43) F2PRSS1F7F10ALDH1A1
SCHEMBL7144966 0.86 ADRB3 (0.43) F2PRSS1F7F10ALDH1A1
SCHEMBL7144961 0.86 ADRB3 (0.43) F2PRSS1F7F10ALDH1A1
SCHEMBL7140860 0.85 F7 (0.43) F2PRSS1F7F10ALDH1A1
SCHEMBL7140854 0.85 F7 (0.43) F2PRSS1F7F10ALDH1A1
SCHEMBL7143391 0.85 F2 (0.63) F2PRSS1F7F10L3MBTL1
SCHEMBL7148118 0.84 F2 (0.51) F2PRSS1F7F10ALDH1A1
SCHEMBL7147306 0.82 HPGD (0.43) AKR1B1F2PRSS1F7F10

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