SCHEMBL7740690

SCHEMBL7740690

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

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC15A1 P46059 1/20 0.41
HDAC6 Q9UBN7 1/20 0.34
CCNT1 O60563 2/20 0.32
CDK9 P50750 2/20 0.32
ALDH1A1 P00352 1/20 0.31
ADORA2B P29275 3/20 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
SCHEMBL7734416 0.90 SLC15A1 (0.43) SLC15A1HDAC6CCNT1CDK9ALDH1A1
SCHEMBL7123962 0.90 SLC15A1 (0.43) SLC15A1HDAC6CCNT1CDK9ALDH1A1
SCHEMBL7209028 0.90 SLC15A1 (0.43) SLC15A1HDAC6CCNT1CDK9ALDH1A1
SCHEMBL8626734 0.85 SLC15A1 (0.49) SLC15A1HDAC6ALDH1A1
SCHEMBL7742269 0.81 HDAC6 (0.43) SLC15A1HDAC6CCNT1CDK9
SCHEMBL7742274 0.81 HDAC6 (0.43) SLC15A1HDAC6CCNT1CDK9
SCHEMBL7739884 0.80 THRB (0.37) ALDH1A1
SCHEMBL9419671 0.79 HDAC6 (0.35) SLC15A1HDAC6CCNT1CDK9ALDH1A1
SCHEMBL9419631 0.79 HDAC6 (0.35) SLC15A1HDAC6CCNT1CDK9ALDH1A1
SCHEMBL9387641 0.79 HDAC6 (0.35) SLC15A1HDAC6CCNT1CDK9ALDH1A1

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