SCHEMBL9859963

SCHEMBL9859963

CCCOc1c(OC)cc(C(O)CCC(=O)c2cc(OC)c(OC)c(OC)c2)cc1S(=O)(=O)CC(O[SiH](C)C)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 12/20 0.41
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 2/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL9859909 1.00 PTAFR (0.41) PTAFRALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL9859776 0.90 PTAFR (0.42) PTAFRALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL9859903 0.80 PTAFR (0.45) PTAFRALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL9859957 0.80 PTAFR (0.45) PTAFRALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL9099229 0.74 PTAFR (0.43) PTAFRALDH1A1SMN1; SMN2KDM4ERAB9A
SCHEMBL9859410 0.72 PTAFR (0.63) PTAFRALDH1A1SMN1; SMN2L3MBTL1MEN1
SCHEMBL10448547 0.72 PTAFR (0.58) PTAFRALDH1A1SMN1; SMN2MAPTRAB9A
SCHEMBL8109885 0.69 PTAFR (0.61) PTAFRALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL8109884 0.69 PTAFR (0.45) PTAFRALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL10448821 0.69 PTAFR (0.57) PTAFRALDH1A1SMN1; SMN2KDM4EMAPT

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