SCHEMBL8770195

SCHEMBL8770195

COC(=O)COc1ccc(C(N)=O)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.70
PARP10 Q53GL7 10/20 0.62
PARP4 Q9UKK3 2/20 0.58
PARP2 Q9UGN5 2/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
PARP1 P09874 1/20 0.58
MAPT P10636 2/20 0.56
KMT2A Q03164 2/20 0.56
GAA P10253 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
PTGS2 P35354 1/20 0.54
AOC3 Q16853 1/20 0.54
PARP15 Q460N3 2/20 0.52
ALDH1A1 P00352 2/20 0.52
PARP14 Q460N5 1/20 0.52
PARP16 Q8N5Y8 1/20 0.52
PARP11 Q9NR21 1/20 0.52
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50

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
SCHEMBL2116437 0.87 PTGS2 (0.66) POLBMAPTKMT2AGAAL3MBTL1
SCHEMBL10299626 0.85 PTGS2 (0.57) POLBMAPTKMT2AGAAL3MBTL1
SCHEMBL6960461 0.84 L3MBTL1 (0.61) POLBMAPTGAAL3MBTL1PTGS2
SCHEMBL4262664 0.84 MAPT (0.70) POLBCA1CA2MAPTKMT2A
SCHEMBL3528003 0.84 PLA2G4B (0.62) POLBCA1CA2MAPTPTGS2
SCHEMBL2012060 0.83 MAPT (0.53) POLBMAPTKMT2AGAAL3MBTL1
SCHEMBL8407192 0.82 PRSS1 (0.54) POLBMAPTKMT2AGAAL3MBTL1
SCHEMBL8409575 0.82 PRSS1 (0.54) POLBMAPTKMT2AGAAL3MBTL1
SCHEMBL7283346 0.82 PTGS2 (0.58) POLBMAPTKMT2AGAAL3MBTL1
SCHEMBL223169 0.81 PTGS2 (0.57) POLBMAPTKMT2AGAAL3MBTL1

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
EP-0632020-B1 Allophanic acid derivatives ZENECA LTD (GB) 1997-09-24 EP disclosed
US-5494922-A ANTICOAGULANTS ZENECA LIMITED (GB) 1996-02-27 US disclosed
US-5463011-A Allophanic acid derivatives from reacting amines with isocyanate components; anticoagulants; inhibits binding of fibrinogen to glycoprotein IIa/IIIb ZENECA LIMITED (GB) 1995-10-31 US disclosed
EP-0632020-A1 Allophanic acid derivatives ZENECA LIMITED (GB) 1995-01-04 EP disclosed