SCHEMBL8206529

SCHEMBL8206529

CCOC(=O)c1c2c(c([C](c3c4c(c(C(=O)OCC)c5c3SC(CO)(CO)S5)SC(CO)(CO)S4)c3c4c(c(C(=O)OCC)c5c3SC(CO)(CO)S5)SC(CO)(CO)S4)c3c1OC(C)(C)O3)OC(C)(C)O2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.34
ALDH1A1 P00352 5/20 0.34
MAPT P10636 5/20 0.34
GAA P10253 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
FHIT P49789 1/20 0.32
CYP3A4 P08684 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
KDM4E B2RXH2 2/20 0.31
GLA P06280 1/20 0.31
KMT2A Q03164 2/20 0.31
MAPK1 P28482 1/20 0.31
MAPK10 P53779 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL7521891 0.88 HPGD (0.36) HPGDALDH1A1MAPTGAASMN1; SMN2
SCHEMBL7524077 0.73 ALDH1A1 (0.39) HPGDALDH1A1MAPTGAASMN1; SMN2
SCHEMBL7515278 0.73 HPGD (0.33) HPGDALDH1A1MAPTGAASMN1; SMN2
SCHEMBL8930717 0.71 ALDH1A1 (0.39) HPGDALDH1A1MAPTGAASMN1; SMN2
Tromethamine SCHEMBL8045821 0.69 ALDH1A1 (0.39) HPGDALDH1A1MAPTGAASMN1; SMN2
SCHEMBL8045320 0.69 ALDH1A1 (0.34) HPGDALDH1A1MAPTGAASMN1; SMN2
SCHEMBL7514575 0.68 CYP3A4 (0.45) HPGDALDH1A1MAPTGAASMN1; SMN2
SCHEMBL12530071 0.68 HPGD (0.45) HPGDALDH1A1MAPTGAASMN1; SMN2
SCHEMBL8930693 0.66 ALDH1A1 (0.38) HPGDALDH1A1MAPTGAASMN1; SMN2
SCHEMBL8035997 0.63 ALDH1A1 (0.37) HPGDALDH1A1MAPTGAASMN1; SMN2

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
EP-0832054-B1 HETEROCYCLIC METHYL FREE RADICALS AS IMAGE ENHANCING AGENTS NYCOMED IMAGING AS (NO) 2000-12-27 EP disclosed