SCHEMBL6854797

SCHEMBL6854797

CCOC(=O)/C=C/c1ccc(/C=C/C(=O)OCC)c2cc3ccccc3cc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.56
CDK8 P49336 1/20 0.56
CYP3A4 P08684 3/20 0.53
TTR P02766 1/20 0.49
DPP4 P27487 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
ESR1 P03372 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
PTGS2 P35354 1/20 0.46
KDM4E B2RXH2 2/20 0.45

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
SCHEMBL6854799 0.94 KDM4E (0.53) CCNCCDK8CYP3A4TTRDPP4
SCHEMBL6853096 0.87 CA12 (0.54) CCNCCDK8CYP3A4TTRDPP4
SCHEMBL11218812 0.87 CA12 (0.54) CCNCCDK8CYP3A4TTRDPP4
SCHEMBL2690695 0.85 HDAC8 (0.55) CCNCCDK8CYP3A4CA12CA1
SCHEMBL2690696 0.85 HDAC8 (0.55) CCNCCDK8CYP3A4CA12CA1
SCHEMBL10783189 0.82 CA12 (0.59) CCNCCDK8CYP3A4TTRDPP4
SCHEMBL6853099 0.82 HCAR2 (0.51) CCNCCDK8CYP3A4TTRDPP4
SCHEMBL9614845 0.81 CYP3A4 (0.50) CCNCCDK8CYP3A4TTRDPP4
SCHEMBL9614843 0.81 CYP3A4 (0.50) CCNCCDK8CYP3A4TTRDPP4
SCHEMBL14290541 0.81 TTR (0.55) CYP3A4TTRDPP4CA12CA1

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-0799827-B1 ACRYLAMIDE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME KYORIN SEIYAKU KK (JP) 2004-05-12 EP disclosed
US-5786486-A ANTIMICROBIAL, ANTITUMOR AGENTS KYORIN PHARMACEUTICAL CO., LTD. (JP) 1998-07-28 US disclosed
EP-0799827-A1 ACRYLAMIDE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME KYORIN PHARMACEUTICAL CO., LTD. (JP) 1997-10-08 EP disclosed