SCHEMBL8084447

SCHEMBL8084447

CC1(C)C=C(n2cc(Cl)ccc2=O)c2cc(C#N)ccc2O1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
ABCC9 O60706 13/20 0.40
MALT1 Q9UDY8 1/20 0.33
ABCB1 P08183 2/20 0.33
MIF P14174 1/20 0.33
CASP3 P42574 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
SCHEMBL7267642 0.87 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DABCC9
SCHEMBL7267833 0.87 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DABCC9
SCHEMBL8085358 0.86 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DABCC9
SCHEMBL8085320 0.85 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DABCC9
SCHEMBL9300325 0.84 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DABCC9
SCHEMBL9299235 0.84 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DABCC9
SCHEMBL7266970 0.84 ABCC9 (0.41) PDE4APDE4BPDE4CPDE4DABCC9
SCHEMBL8077161 0.84 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DABCC9
SCHEMBL8077016 0.84 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DABCC9
SCHEMBL8077234 0.82 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DABCC9

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