SCHEMBL7634776

SCHEMBL7634776

CC(=O)OC[C@@H]1O[C@@H](n2c(Cl)nc3cc(Cl)c(Cl)cc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
LMNA P02545 3/20 0.51
MAPT P10636 3/20 0.51
TP53 P04637 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.48
THRB P10828 1/20 0.48
HIF1A Q16665 1/20 0.48
GALR3 O60755 1/20 0.42
TSHR P16473 1/20 0.42
SLC15A1 P46059 1/20 0.41
CA9 Q16790 7/20 0.41
CA1 P00915 6/20 0.41
CA2 P00918 6/20 0.41
CA12 O43570 6/20 0.41
CA14 Q9ULX7 4/20 0.41
PRKCA P17252 1/20 0.41
AKT1 P31749 1/20 0.41
PTK2 Q05397 1/20 0.41
KDM4E B2RXH2 3/20 0.40

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
SCHEMBL7632914 1.00 ALDH1A1 (0.51) ALDH1A1LMNAMAPTTP53TDP1
SCHEMBL3932951 1.00 ALDH1A1 (0.51) ALDH1A1LMNAMAPTTP53TDP1
SCHEMBL7632905 1.00 ALDH1A1 (0.51) ALDH1A1LMNAMAPTTP53TDP1
SCHEMBL9248678 0.92 ALDH1A1 (0.48) ALDH1A1LMNAMAPTTP53TDP1
SCHEMBL9246544 0.92 ALDH1A1 (0.48) ALDH1A1LMNAMAPTTP53TDP1
SCHEMBL8185154 0.92 ALDH1A1 (0.48) ALDH1A1LMNAMAPTTP53TDP1
SCHEMBL8190327 0.92 ALDH1A1 (0.48) ALDH1A1LMNAMAPTTP53TDP1
SCHEMBL8184866 0.92 ALDH1A1 (0.48) ALDH1A1LMNAMAPTTP53TDP1
SCHEMBL8185156 0.92 ALDH1A1 (0.48) ALDH1A1LMNAMAPTTP53TDP1
SCHEMBL7591500 0.92 LMNA (0.42) ALDH1A1LMNAMAPTTP53TDP1

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-6455506-B1 Lyxofuranosyl benzimidazoles as antiviral agents SMITHKLINE BEECHAM CORPORATION 2002-09-24 US disclosed