SCHEMBL8626734

SCHEMBL8626734

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC15A1 P46059 1/20 0.49
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
THRB P10828 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
HDAC6 Q9UBN7 1/20 0.38
TSHR P16473 1/20 0.37
CA9 Q16790 9/20 0.35
CA12 O43570 8/20 0.35
CA2 P00918 8/20 0.35
CA1 P00915 8/20 0.35
CA14 Q9ULX7 6/20 0.35
PRKCA P17252 1/20 0.35
AKT1 P31749 1/20 0.35
PTK2 Q05397 1/20 0.35
CA4 P22748 2/20 0.35

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
SCHEMBL3545846 0.91 ALDH1A1 (0.54) SLC15A1ALDH1A1LMNAMAPTTP53
SCHEMBL3545841 0.91 ALDH1A1 (0.54) SLC15A1ALDH1A1LMNAMAPTTP53
SCHEMBL3547093 0.91 ALDH1A1 (0.54) SLC15A1ALDH1A1LMNAMAPTTP53
SCHEMBL7740690 0.85 SLC15A1 (0.41) SLC15A1ALDH1A1HDAC6
SCHEMBL7806086 0.83 SLC15A1 (0.66) SLC15A1ALDH1A1LMNAMAPTTP53
SCHEMBL7806081 0.83 SLC15A1 (0.66) SLC15A1ALDH1A1LMNAMAPTTP53
SCHEMBL30860092 0.83 SLC15A1 (0.51) SLC15A1ALDH1A1LMNAMAPTTP53
SCHEMBL8146838 0.82 LMNA (0.52) ALDH1A1LMNAMAPTTP53TDP1
SCHEMBL7632914 0.81 ALDH1A1 (0.51) SLC15A1ALDH1A1LMNAMAPTTP53
SCHEMBL7634776 0.81 ALDH1A1 (0.51) SLC15A1ALDH1A1LMNAMAPTTP53

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-5840743-A TREATING HERPES VIRUS, CYTOMEGALO VIRUS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1998-11-24 US disclosed