SCHEMBL7328448

SCHEMBL7328448

COC(=O)C=CC=CC=CC=Cc1ccc(OC)c(OC2CCCC2)c1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 9/20 0.59
PDE4A P27815 4/20 0.59
PDE4C Q08493 4/20 0.59
PDE4D Q08499 4/20 0.59
POLB P06746 1/20 0.50
NFE2L2 Q16236 1/20 0.50
FDPS P14324 1/20 0.48
EPHX2 P34913 1/20 0.48

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
SCHEMBL9577630 1.00 PDE4B (0.59) PDE4BPDE4APDE4CPDE4DPOLB
SCHEMBL7326305 1.00 PDE4B (0.59) PDE4BPDE4APDE4CPDE4DPOLB
SCHEMBL7325686 0.99 PDE4B (0.60) PDE4BPDE4APDE4CPDE4DPOLB
SCHEMBL7325691 0.99 PDE4B (0.60) PDE4BPDE4APDE4CPDE4DPOLB
SCHEMBL7438760 0.90 PDE4B (0.67) PDE4BPDE4APDE4CPDE4DPOLB
SCHEMBL7326887 0.90 PDE4B (0.67) PDE4BPDE4APDE4CPDE4DPOLB
SCHEMBL7326891 0.90 PDE4B (0.67) PDE4BPDE4APDE4CPDE4DPOLB
SCHEMBL7324802 0.89 PDE4B (0.60) PDE4BPDE4APDE4CPDE4DPOLB
SCHEMBL7324806 0.89 PDE4B (0.60) PDE4BPDE4APDE4CPDE4DPOLB
Cyclopropane SCHEMBL11853289 0.85 FDPS (0.60) NFE2L2FDPSEPHX2

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-5274002-A 1-Oxy- or -thio-2-cycloalkyloxy-4-carboxyalkylene benzene derivatives WARNER-LAMBERT COMPANY (US) 1993-12-28 US claimed
US-5274002-A 1-Oxy- or -thio-2-cycloalkyloxy-4-carboxyalkylene benzene derivatives WARNER-LAMBERT COMPANY (US) 1993-12-28 US disclosed
US-4971959-A Trisubstituted phenyl analogs having activity for congestive heart failure WARNER-LAMBERT COMPANY (US) 1990-11-20 US disclosed