SCHEMBL18754138

SCHEMBL18754138

COC(=O)CC(C(=O)OC)c1cccc(Br)c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 2/20 0.48
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 2/20 0.40
CTSA P10619 1/20 0.40
MEN1 O00255 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL16115480 0.88 KCNA5 (0.40) KCNA5ALDH1A1POLBMAPTKMT2A
SCHEMBL16137776 0.86 MAPT (0.41) KCNA5ALDH1A1POLBMAPTKDM4E
SCHEMBL7112200 0.85 ALDH1A1 (0.49) ALDH1A1POLBMAPTKMT2AMEN1
SCHEMBL31477291 0.85 ALDH1A1 (0.43) KCNA5ALDH1A1POLBMAPTKMT2A
SCHEMBL31477670 0.84 ALDH1A1 (0.42) KCNA5ALDH1A1POLBMAPTKMT2A
SCHEMBL17798382 0.84 ALDH1A1 (0.42) KCNA5ALDH1A1POLBMAPTKMT2A
SCHEMBL6925400 0.82 ALDH1A1 (0.44) KCNA5ALDH1A1POLBMAPTKMT2A
SCHEMBL8770921 0.82 KCNA5 (0.50) KCNA5L3MBTL1
SCHEMBL2029513 0.81 ALDH1A1 (0.41) KCNA5ALDH1A1POLBMAPTKMT2A
SCHEMBL14445159 0.81 KMT2A (0.42) KCNA5ALDH1A1POLBMAPTKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2978754-B1 BIARYL-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2017-05-10 EP disclosed
EP-2978747-B1 BIARYL-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2017-04-19 EP disclosed