SCHEMBL9859903

SCHEMBL9859903

CCCOc1c(OC)cc([C@@H](O)CCC(=O)c2cc(OC)c(OC)c(OC)c2)cc1S(=O)(=O)CCO[Si](C)(C)C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 13/20 0.45
FKBP1A P62942 1/20 0.36
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL9859957 1.00 PTAFR (0.45) PTAFRFKBP1AALDH1A1SMN1; SMN2MAPT
SCHEMBL9859766 0.88 PTAFR (0.48) PTAFRFKBP1AALDH1A1SMN1; SMN2MAPT
SCHEMBL9859909 0.80 PTAFR (0.41) PTAFRALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL9859963 0.80 PTAFR (0.41) PTAFRALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL9859410 0.78 PTAFR (0.63) PTAFRALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL9099229 0.76 PTAFR (0.43) PTAFRALDH1A1SMN1; SMN2KDM4ERAB9A
SCHEMBL8109885 0.75 PTAFR (0.61) PTAFRALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL10448547 0.73 PTAFR (0.58) PTAFRALDH1A1SMN1; SMN2MAPTRAB9A
SCHEMBL9401188 0.71 PTAFR (0.58) PTAFR
SCHEMBL8109884 0.71 PTAFR (0.45) PTAFRALDH1A1SMN1; SMN2MAPTKDM4E

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