SCHEMBL8085320

SCHEMBL8085320

COc1ccc(=O)n(C2=CC(C)(C)Oc3ccc(C#N)cc32)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
KDM1A O60341 2/20 0.36
MAOB P27338 1/20 0.35
SNCA P37840 1/20 0.33
MEN1 O00255 1/20 0.33
GLA P06280 1/20 0.33
KMT2A Q03164 1/20 0.33
MALT1 Q9UDY8 1/20 0.32
ABCB1 P08183 3/20 0.32
TDP2 O95551 1/20 0.32
CCNB2 O95067 1/20 0.32
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
GSK3B P49841 1/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
CCNB3 Q8WWL7 1/20 0.32

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
SCHEMBL8088661 0.87 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DKDM1A
SCHEMBL8084447 0.85 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DMALT1
SCHEMBL7267833 0.85 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DMAOB
SCHEMBL7267642 0.85 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DMAOB
SCHEMBL8085125 0.84 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL9299235 0.82 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DMAOB
SCHEMBL7266970 0.82 ABCC9 (0.41) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL9300325 0.82 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DMAOB
SCHEMBL8077161 0.82 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DABCB1
SCHEMBL8088372 0.81 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DKDM1A

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
US-6153627-A Chroman derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-11-28 US disclosed
US-6040308-A Chroman derivatives MERCK GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-03-21 US disclosed
US-5387587-A Chroman derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-02-07 US disclosed