SCHEMBL9859558

SCHEMBL9859558

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 19/20 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
SCHEMBL9859555 1.00 PTAFR (1.00) PTAFR
SCHEMBL8752379 1.00 PTAFR (1.00) PTAFR
SCHEMBL9689913 0.98 PTAFR (0.96) PTAFR
SCHEMBL9689918 0.98 PTAFR (0.96) PTAFR
SCHEMBL9689907 0.98 PTAFR (0.96) PTAFR
SCHEMBL9689973 0.94 PTAFR (0.89) PTAFR
SCHEMBL9689979 0.94 PTAFR (0.89) PTAFR
SCHEMBL9689982 0.94 PTAFR (0.89) PTAFR
SCHEMBL10429157 0.93 PTAFR (0.86) PTAFR
SCHEMBL10429156 0.93 PTAFR (0.86) 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 3 patents. 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 claimed
US-5010100-A Skeletal muscular disorders, hydertensive agents, cardiovascular disorders MERCK & CO. INC. (US) 1991-04-23 US disclosed
EP-0322033-A2 New 2,5-diaryl tetrahydrofurans and analogs thereof as paf antagonists MERCK & CO. INC. (US) 1989-06-28 EP disclosed