SCHEMBL18534005

SCHEMBL18534005

COc1cc(/C=C/C(=O)OCCCc2ccccc2)ccc1OCO

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TTR P02766 3/20 0.74
ALOX5 P09917 3/20 0.71
MET P08581 5/20 0.62
AKR1B10 O60218 3/20 0.60
AKR1B1 P15121 3/20 0.60
FDPS P14324 2/20 0.58
KDM4E B2RXH2 1/20 0.58
ALDH1A1 P00352 1/20 0.58
CA12 O43570 1/20 0.55
CA4 P22748 1/20 0.55
CA6 P23280 1/20 0.55
CA5A P35218 1/20 0.55
CA7 P43166 1/20 0.55
CA9 Q16790 1/20 0.55
CA14 Q9ULX7 1/20 0.55
CA5B Q9Y2D0 1/20 0.55
APP P05067 1/20 0.54

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
SCHEMBL16601907 0.93 AKR1B10 (0.65) TTRALOX5METAKR1B10AKR1B1
SCHEMBL15384083 0.92 TTR (0.86) TTRALOX5METAKR1B10AKR1B1
SCHEMBL18534004 0.87 CA12 (0.73) TTRAKR1B10AKR1B1FDPSKDM4E
SCHEMBL16601908 0.87 TTR (0.72) TTRALOX5METAKR1B10AKR1B1
SCHEMBL20914973 0.86 TTR (0.87) TTRALOX5METAKR1B10AKR1B1
SCHEMBL20914956 0.86 TTR (0.87) TTRALOX5METAKR1B10AKR1B1
SCHEMBL29009245 0.86 TTR (0.87) TTRALOX5METAKR1B10AKR1B1
SCHEMBL14113938 0.85 TTR (1.00) TTRALOX5METAKR1B10AKR1B1
SCHEMBL20914989 0.83 ALOX5 (1.00) TTRALOX5METAKR1B10AKR1B1
SCHEMBL2602740 0.83 AKR1B10 (0.63) TTRALOX5METAKR1B10AKR1B1

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-2629766-B1 COMBINATION THERAPY Chemigen (US) 2017-02-22 EP disclosed