SCHEMBL8645528

SCHEMBL8645528

CC(C)Oc1c(C2=CC(C)(C)Oc3ccc(C#N)cc32)c(=O)c1=O

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
ABCB1 P08183 15/20 0.33
ALK Q9UM73 1/20 0.33
MALT1 Q9UDY8 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
SCHEMBL8642468 0.81 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DABCB1
SCHEMBL8643067 0.79 PDE4A (0.35) PDE4APDE4BPDE4CPDE4DABCB1
SCHEMBL9596467 0.72 ALDH1A1 (0.36) PDE4APDE4BPDE4CPDE4DABCB1
SCHEMBL8195282 0.71 OPRD1 (0.44) PDE4APDE4BPDE4CPDE4DABCB1
SCHEMBL9523959 0.71 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DABCB1
SCHEMBL9524556 0.71 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DABCB1
SCHEMBL9603010 0.70 PDE4A (0.34) PDE4APDE4BPDE4CPDE4DABCB1
SCHEMBL9682834 0.70 PDPK1 (0.39) PDE4APDE4BPDE4CPDE4DABCB1
SCHEMBL9088354 0.69 ABCC9 (0.38) PDE4APDE4BPDE4CPDE4DABCB1
SCHEMBL9524863 0.69 CLK4 (0.40) PDE4APDE4BPDE4CPDE4DABCB1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0767787-B1 (3,4-DIOXOCYCLOBUTEN-1-YL)CHROMENE, INDENE, AND DIHYDRONAPHTHALENONE DERIVATIVES AS SMOOTH MUSCLE RELAXANTS AMERICAN HOME PROD (US) 1998-08-26 EP claimed
EP-0767787-A1 (3,4-DIOXOCYCLOBUTEN-1-YL)CHROMENE, INDENE, AND DIHYDRONAPHTHALENONE DERIVATIVES AS SMOOTH MUSCLE RELAXANTS AMERICAN HOME PRODUCTS CORPORATION (US) 1997-04-16 EP claimed
WO-1996000725-A1 (3,4-DIOXOCYCLOBUTEN-1-YL)CHROMENE, INDENE, AND DIHYDRONAPHTHALENONE DERIVATIVES AS SMOOTH MUSCLE RELAXANTS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-01-11 WO claimed
US-5482942-A HYPOTENSIVE AGENTS, CARDIOVASCULAR DISORDERS AND MUSCULAR DISORDERS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-01-09 US claimed
EP-0767787-B1 (3,4-DIOXOCYCLOBUTEN-1-YL)CHROMENE, INDENE, AND DIHYDRONAPHTHALENONE DERIVATIVES AS SMOOTH MUSCLE RELAXANTS AMERICAN HOME PROD (US) 1998-08-26 EP disclosed
EP-0767787-A1 (3,4-DIOXOCYCLOBUTEN-1-YL)CHROMENE, INDENE, AND DIHYDRONAPHTHALENONE DERIVATIVES AS SMOOTH MUSCLE RELAXANTS AMERICAN HOME PRODUCTS CORPORATION (US) 1997-04-16 EP disclosed
WO-1996000725-A1 (3,4-DIOXOCYCLOBUTEN-1-YL)CHROMENE, INDENE, AND DIHYDRONAPHTHALENONE DERIVATIVES AS SMOOTH MUSCLE RELAXANTS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-01-11 WO disclosed
US-5482942-A HYPOTENSIVE AGENTS, CARDIOVASCULAR DISORDERS AND MUSCULAR DISORDERS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-01-09 US disclosed