SCHEMBL9521355

SCHEMBL9521355

COc1ccc(C(=C/C=C/C(=O)NCCCCc2cccnc2)c2ccc(OC)c(OC)c2)cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 20/20 1.00

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
SCHEMBL9521367 1.00 PTAFR (1.00) PTAFR
SCHEMBL9519479 0.88 PTAFR (1.00) PTAFR
SCHEMBL9519484 0.88 PTAFR (1.00) PTAFR
SCHEMBL9519600 0.87 PTAFR (1.00) PTAFR
SCHEMBL9519588 0.87 PTAFR (1.00) PTAFR
SCHEMBL9521343 0.87 PTAFR (1.00) PTAFR
SCHEMBL10398882 0.86 PTAFR (0.98) PTAFR
SCHEMBL10398883 0.86 PTAFR (0.98) PTAFR
SCHEMBL9520967 0.86 PTAFR (0.75) PTAFR
SCHEMBL9520973 0.86 PTAFR (0.75) PTAFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0299379-B1 PENTADIENAMIDE PAF-ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1993-04-21 EP disclosed
US-4975438-A ANTICOAGULANT HOFFMANN-LA ROCHE INC. (US) 1990-12-04 US disclosed
EP-0299379-A1 Pentadienamide PAF-antagonists F. HOFFMANN-LA ROCHE AG (CH) 1989-01-18 EP disclosed
US-4788206-A CARDIOVASCULAR DISORDERS, PLATELETS HOFFMANN-LA ROCHE INC. (US) 1988-11-29 US disclosed