SCHEMBL8776637

SCHEMBL8776637

CCOC(Br)C(=O)c1ccc(C(=O)OC)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
CA12 O43570 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
LOXL2 Q9Y4K0 1/20 0.46
HPGD P15428 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TSHR P16473 1/20 0.44
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP4A11 Q02928 2/20 0.42
CYP4F2 P78329 1/20 0.41

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
SCHEMBL836356 0.84 CA1 (0.52) MAPTCA1CA2TDP1CA12
SCHEMBL5696622 0.83 SLC6A2 (0.44) MAPTCA1CA2SLC6A2SLC6A4
SCHEMBL27520267 0.82 CA1 (0.53) MAPTCA1CA2TDP1CA12
SCHEMBL5696485 0.81 SLC6A2 (0.43) MAPTCA1CA2SLC6A2SLC6A3
SCHEMBL5026930 0.81 PGR (0.47) MAPTTDP1SLC6A2SLC6A3MEN1
SCHEMBL14893388 0.79 MAPT (0.50) MAPTCA1CA2TDP1CA12
SCHEMBL2981658 0.78 CA1 (0.57) MAPTCA1CA2TDP1CA12
SCHEMBL2237898 0.78 MAPT (0.45) MAPTCA1CA2TDP1CA12
SCHEMBL1147059 0.77 CA1 (0.55) MAPTCA1CA2TDP1CA12
SCHEMBL4936697 0.77 SLC6A2 (0.57) MAPTCA1CA2TDP1CA12

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-0799202-A1 PIPERAZINE DERIVATIVES, MEDICAMENTS CONTAINING THE SAME, THEIR USE AND PROCESS FOR PREPARING THE SAME Dr. Karl Thomae GmbH (DE) 1997-10-08 EP disclosed