SCHEMBL8088855

SCHEMBL8088855

CC(=O)Oc1cccn(C2=C(C)C(C)(C)Oc3ccc(C#N)cc32)c1=O

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 8/20 0.35
MALT1 Q9UDY8 1/20 0.34
MAOB P27338 1/20 0.34
KDM4E B2RXH2 1/20 0.33
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
ABCB1 P08183 5/20 0.32
TYMS P04818 1/20 0.32
ABCC8 Q09428 1/20 0.31
KCNJ11 Q14654 1/20 0.31
KCNJ8 Q15842 1/20 0.31

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
SCHEMBL8090777 0.89 PDE4A (0.38) ABCC9MALT1PDE4APDE4BPDE4C
SCHEMBL8077117 0.86 ABCC9 (0.36) ABCC9MALT1KDM4EABCB1ABCC8
SCHEMBL8076917 0.85 ABCC9 (0.38) ABCC9MALT1MAOBKDM4EABCB1
SCHEMBL8085335 0.84 ABCC9 (0.35) ABCC9MALT1KDM4E
SCHEMBL7268194 0.83 ABCC9 (0.36) ABCC9MALT1PDE4APDE4BPDE4C
SCHEMBL8090488 0.83 ABCC9 (0.36) ABCC9MALT1ABCB1
SCHEMBL8088675 0.83 RECQL (0.44) MALT1MAOBKDM4ETYMS
SCHEMBL8076968 0.82 MALT1 (0.35) ABCC9MALT1MAOBKDM4EPDE4A
SCHEMBL7274143 0.82 PDE4A (0.42) ABCC9MALT1MAOBKDM4EPDE4A
SCHEMBL9379748 0.82 ABCC9 (0.35) ABCC9MALT1MAOBKDM4EPDE4A

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-5013853-A Chroman derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-05-07 US disclosed