SCHEMBL7734546

SCHEMBL7734546

CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@H](C)O[C@H]1n1c(Br)nc2c(Cl)c(Cl)c(Cl)cc21

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
SLC15A1 P46059 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ACHE P22303 1/20 0.32

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
SCHEMBL7734412 0.93 ALDH1A1 (0.38) ALDH1A1SLC15A1LMNATP53MAPT
SCHEMBL7741960 0.89 ALDH1A1 (0.34) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL7209028 0.87 SLC15A1 (0.43) ALDH1A1SLC15A1LMNATP53MAPT
SCHEMBL7734416 0.87 SLC15A1 (0.43) ALDH1A1SLC15A1LMNATP53MAPT
SCHEMBL7123962 0.87 SLC15A1 (0.43) ALDH1A1SLC15A1LMNATP53MAPT
SCHEMBL7738765 0.84 ALDH1A1 (0.33) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL7734321 0.81 ADORA2B (0.35) ALDH1A1SLC15A1
SCHEMBL7734335 0.79 ALDH1A1 (0.35) ALDH1A1SLC15A1LMNATP53MAPT
SCHEMBL7740690 0.78 SLC15A1 (0.41) ALDH1A1SLC15A1
SCHEMBL9419671 0.78 HDAC6 (0.35) ALDH1A1SLC15A1LMNATP53MAPT

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-6413938-B1 HERPES VIRUS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2002-07-02 US disclosed