SCHEMBL9719042

SCHEMBL9719042

CCCOc1c(OC)cc(C2CCC(c3cc(OC)c(OC)c(OC)c3)C2=O)cc1SC

nearest known ligand 0.47

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 19/20 0.47

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
SCHEMBL9767997 0.89 PTAFR (0.46) PTAFR
SCHEMBL9719012 0.83 ALDH1A1 (0.53) PTAFR
SCHEMBL9828602 0.82 PTAFR (0.65) PTAFR
SCHEMBL9828586 0.82 PTAFR (0.65) PTAFR
SCHEMBL9828596 0.82 PTAFR (0.65) PTAFR
SCHEMBL10641178 0.81 PTAFR (0.43) PTAFR
SCHEMBL10641571 0.81 PTAFR (0.44) PTAFR
SCHEMBL9719069 0.81 PTAFR (0.44) PTAFR
SCHEMBL9719122 0.81 PTAFR (0.44) PTAFR
SCHEMBL9719014 0.81 PTAFR (0.44) 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
US-5132463-A Cardiovascular, skin, kidney, respiratory system, and gastrointestinal disorders MERCK & CO., INC. (US) 1992-07-21 US disclosed
EP-0257921-B1 NEW 1,3-DIARYL CYCLOPENTANES AND DERIVATIVES THEREOF AS PAF ANTAGONISTS MERCK & CO. INC. (US) 1992-04-15 EP disclosed
US-5047420-A Platelet activating factor MERCK & CO., INC. (US) 1991-09-10 US disclosed
EP-0257921-A2 New 1,3-diaryl cyclopentanes and derivatives thereof as paf antagonists MERCK & CO. INC. (US) 1988-03-02 EP disclosed