SCHEMBL9719870

SCHEMBL9719870

CCCS(=O)(=O)c1cc(C2CCC(c3cc(OC)c(OC)c(OC)c3)C2OCC(N)=O)cc(OC)c1OCC

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 16/20 0.48
BPTF Q12830 1/20 0.34
ABCB1 P08183 1/20 0.33

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
SCHEMBL9719869 1.00 PTAFR (0.48) PTAFRBPTFABCB1
SCHEMBL9719903 0.81 BPTF (0.35) PTAFRBPTFABCB1
SCHEMBL9719906 0.81 BPTF (0.35) PTAFRBPTFABCB1
SCHEMBL9768213 0.77 PTAFR (0.42) PTAFRBPTF
SCHEMBL9859198 0.77 PTAFR (0.74) PTAFR
SCHEMBL9859211 0.77 PTAFR (0.74) PTAFR
SCHEMBL9859193 0.77 PTAFR (0.74) PTAFR
SCHEMBL9719914 0.73 ALDH1A1 (0.49)
SCHEMBL9719911 0.73 ALDH1A1 (0.49)
SCHEMBL9719053 0.72 PTAFR (0.43) 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-5047420-A Platelet activating factor MERCK & CO., INC. (US) 1991-09-10 US claimed
US-5132463-A Cardiovascular, skin, kidney, respiratory system, and gastrointestinal disorders MERCK & CO., INC. (US) 1992-07-21 US disclosed
US-5047420-A Platelet activating factor MERCK & CO., INC. (US) 1991-09-10 US disclosed