SCHEMBL9538491

SCHEMBL9538491

CCCCCCCCCCCCCCCCCCc1cc2nc3ccc(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)cc3oc-2cc1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.50
CA12 O43570 4/20 0.47
CA9 Q16790 4/20 0.47
CA1 P00915 3/20 0.47
CA2 P00918 2/20 0.47
TNF P01375 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SLCO2B1 O94956 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HSD17B10 Q99714 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
RECQL P46063 1/20 0.46
IL2 P60568 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM1A O60341 1/20 0.44
PTPN2 P17706 1/20 0.44

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
SCHEMBL9539379 1.00 PTPN1 (0.50) PTPN1CA12CA9CA1CA2
SCHEMBL29466657 0.80 APP (0.55) CA12CA9CA1CA2TNF
SCHEMBL20777531 0.80 APP (0.55) CA12CA9CA1CA2TNF
SCHEMBL13990666 0.80 APP (0.55) CA12CA9CA1CA2TNF
SCHEMBL15065526 0.80 APP (0.55) CA12CA9CA1CA2TNF
SCHEMBL29355036 0.80 APP (0.55) CA12CA9CA1CA2TNF
SCHEMBL16069592 0.80 APP (0.55) CA12CA9CA1CA2TNF
SCHEMBL16069671 0.80 APP (0.55) CA12CA9CA1CA2TNF
SCHEMBL8634263 0.77 CA12 (0.69) PTPN1CA12CA9CA1CA2
SCHEMBL3022467 0.77 CA12 (0.69) PTPN1CA12CA9CA1CA2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5242805-A Useful in directingcells producing enzymes that hydrolyze the glycoside MOLECULAR PROBES, INC. (US) 1993-09-07 US disclosed
WO-1993004074-A1 LONG WAVELENGTH LIPOPHILIC FLUOROGENIC GLYCOSIDASE SUBSTRATES MOLECULAR PROBES, INC. (US) 1993-03-04 WO disclosed