SCHEMBL9768213

SCHEMBL9768213

CCCS(=O)(=O)c1cc(C2(OCC(N)=O)CCCC2c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 13/20 0.42
MAPT P10636 1/20 0.32
TUBB4A P04350 2/20 0.31
TUBB P07437 2/20 0.31
TUBA3C P0DPH7 2/20 0.31
TUBA1B P68363 2/20 0.31
TUBA4A P68366 2/20 0.31
TUBB4B P68371 2/20 0.31
TUBB3 Q13509 2/20 0.31
TUBB2A Q13885 2/20 0.31
TUBB8 Q3ZCM7 2/20 0.31
TUBA3E Q6PEY2 2/20 0.31
TUBA1A Q71U36 2/20 0.31
TUBA1C Q9BQE3 2/20 0.31
TUBB6 Q9BUF5 2/20 0.31
TUBB2B Q9BVA1 2/20 0.31
TUBB1 Q9H4B7 2/20 0.31
BPTF Q12830 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL9719870 0.77 PTAFR (0.48) PTAFRBPTF
SCHEMBL9719869 0.77 PTAFR (0.48) PTAFRBPTF
SCHEMBL9859193 0.69 PTAFR (0.74) PTAFR
SCHEMBL9859198 0.69 PTAFR (0.74) PTAFR
SCHEMBL9859211 0.69 PTAFR (0.74) PTAFR
SCHEMBL9719040 0.64 MAPT (0.63) PTAFRMAPTTUBB4ATUBBTUBA3C
SCHEMBL9859486 0.63 PTAFR (0.86) PTAFR
SCHEMBL9859932 0.63 PTAFR (0.86) PTAFR
SCHEMBL9859944 0.63 PTAFR (0.86) PTAFR
SCHEMBL9691737 0.61 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5047420-A Platelet activating factor MERCK & CO., INC. (US) 1991-09-10 US disclosed