SCHEMBL7328799

SCHEMBL7328799

COC(=O)C/C=C/c1ccc(OC)c(OC2CCCC2)c1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 11/20 0.57
PDE4D Q08499 6/20 0.57
PDE4A P27815 5/20 0.57
PDE4C Q08493 5/20 0.57
NFE2L2 Q16236 1/20 0.51
POLB P06746 1/20 0.51

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
SCHEMBL7326891 0.81 PDE4B (0.67) PDE4BPDE4DPDE4APDE4CNFE2L2
SCHEMBL7438760 0.81 PDE4B (0.67) PDE4BPDE4DPDE4APDE4CNFE2L2
SCHEMBL7326887 0.81 PDE4B (0.67) PDE4BPDE4DPDE4APDE4CNFE2L2
SCHEMBL7441216 0.81 PDE4B (0.65) PDE4BPDE4DPDE4APDE4CNFE2L2
SCHEMBL7440781 0.81 PDE4B (0.57) PDE4BPDE4DPDE4APDE4C
SCHEMBL7441213 0.81 PDE4B (0.65) PDE4BPDE4DPDE4APDE4CNFE2L2
SCHEMBL7417861 0.81 NFE2L2 (0.61) PDE4BPDE4DPDE4APDE4CNFE2L2
SCHEMBL7419336 0.81 NFE2L2 (0.61) PDE4BPDE4DPDE4APDE4CNFE2L2
SCHEMBL7301099 0.80 KDM4E (0.69) PDE4BPDE4DPDE4APDE4CNFE2L2
SCHEMBL7332000 0.80 PDE4B (0.68) PDE4BPDE4DPDE4APDE4CNFE2L2

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