SCHEMBL9859944

SCHEMBL9859944

CCCOc1c(OC)cc([C@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1S(=O)(=O)CCC

nearest known ligand 0.86

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 19/20 0.86

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
SCHEMBL9859486 1.00 PTAFR (0.86) PTAFR
SCHEMBL9859932 1.00 PTAFR (0.86) PTAFR
SCHEMBL7666856 0.93 PTAFR (0.75) PTAFR
SCHEMBL7666848 0.93 PTAFR (0.75) PTAFR
SCHEMBL7666843 0.93 PTAFR (0.75) PTAFR
SCHEMBL7129708 0.93 PTAFR (0.78) PTAFR
SCHEMBL7597815 0.93 PTAFR (0.78) PTAFR
SCHEMBL7662186 0.93 PTAFR (0.78) PTAFR
SCHEMBL9691733 0.93 PTAFR (0.75) PTAFR
SCHEMBL9859558 0.93 PTAFR (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5010100-A Skeletal muscular disorders, hydertensive agents, cardiovascular disorders MERCK & CO. INC. (US) 1991-04-23 US disclosed