SCHEMBL7326140

SCHEMBL7326140

COc1ccc(C=CC=CC=CC=O)cc1OC1CCCC1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 14/20 0.59
PDE4D Q08499 6/20 0.56
PDE4A P27815 4/20 0.56
PDE4C Q08493 4/20 0.56
PDE3A Q14432 1/20 0.51
XDH P47989 1/20 0.49

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
SCHEMBL7327071 1.00 PDE4B (0.59) PDE4BPDE4DPDE4APDE4CPDE3A
SCHEMBL7326510 0.95 PDE4B (0.61) PDE4BPDE4DPDE4APDE4CPDE3A
SCHEMBL7326505 0.95 PDE4B (0.61) PDE4BPDE4DPDE4APDE4CPDE3A
SCHEMBL7324806 0.85 PDE4B (0.60) PDE4BPDE4DPDE4APDE4C
SCHEMBL7324802 0.85 PDE4B (0.60) PDE4BPDE4DPDE4APDE4C
SCHEMBL7328448 0.84 PDE4B (0.59) PDE4BPDE4DPDE4APDE4C
SCHEMBL7326305 0.84 PDE4B (0.59) PDE4BPDE4DPDE4APDE4C
SCHEMBL9577630 0.84 PDE4B (0.59) PDE4BPDE4DPDE4APDE4C
SCHEMBL70835 0.83 ALDH1A1 (0.64) PDE4BPDE4DPDE4APDE4CPDE3A
SCHEMBL29808190 0.83 ALDH1A1 (0.64) PDE4BPDE4DPDE4APDE4CPDE3A

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