SCHEMBL7411191

SCHEMBL7411191

COc1ccc(-c2ccc(C(=O)O)cc2)cc1OCC1CC1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 16/20 0.63
PDE4A P27815 9/20 0.63
PDE4C Q08493 9/20 0.63
PDE4D Q08499 9/20 0.63
MAP4K4 O95819 1/20 0.57
FPR2 P25090 1/20 0.51
EGFR P00533 1/20 0.50

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
SCHEMBL30575456 0.89 CA12 (0.63) PDE4BPDE4APDE4CPDE4D
SCHEMBL1031663 0.89 CA12 (0.63) PDE4BPDE4APDE4CPDE4D
SCHEMBL7389578 0.84 PDE4B (0.60) PDE4BPDE4APDE4CPDE4D
SCHEMBL29670247 0.83 TSHR (0.66) PDE4BPDE4APDE4CPDE4D
SCHEMBL15596058 0.83 TSHR (0.66) PDE4BPDE4APDE4CPDE4D
SCHEMBL12508471 0.83 PDE4B (0.58) PDE4BPDE4APDE4CPDE4D
SCHEMBL2040708 0.81 CA12 (0.72) PDE4BPDE4APDE4CPDE4D
SCHEMBL4269812 0.81 PDE4B (0.62) PDE4BPDE4APDE4CPDE4D
SCHEMBL3377412 0.81 PDE4B (0.62) PDE4BPDE4APDE4CPDE4D
SCHEMBL20428527 0.81 CA12 (0.55) PDE4BPDE4APDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995027692-A1 SUBTITUTED BIPHENYL TNF INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1995-10-19 WO disclosed