SCHEMBL1768503

SCHEMBL1768503

Brc1ccccc1-c1ccc(C2OC=CO2)cc1Br

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
MAPK1 P28482 2/20 0.36
MAOB P27338 4/20 0.35
MAOA P21397 3/20 0.35
NPC1 O15118 2/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
TP53 P04637 2/20 0.30
MAPT P10636 2/20 0.30
RAB9A P51151 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
DCUN1D1 Q96GG9 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL1768457 0.72
SCHEMBL1768593 0.69 MAPK1 (0.42) ALDH1A1MAPK1MAOBMAOANPC1
SCHEMBL734096 0.69 ALDH1A1 (0.55) ALDH1A1MAPK1MAOBMAOANPC1
SCHEMBL16193372 0.69 ALDH1A1 (0.55) ALDH1A1MAPK1MAOBMAOANPC1
SCHEMBL358976 0.68 ALDH1A1 (0.67) ALDH1A1MAPK1MAOBMAOANPC1
SCHEMBL31295703 0.68 ALDH1A1 (0.67) ALDH1A1MAPK1MAOBMAOANPC1
SCHEMBL28307626 0.68 PTPRC (0.50) ALDH1A1MAPK1MAOBMAOANPC1
SCHEMBL2167441 0.67 ALDH1A1 (0.52) ALDH1A1MAPK1MAOBMAOANPC1
SCHEMBL7519287 0.66 ALDH1A1 (0.63) ALDH1A1MAPK1MAOBMAOANPC1
SCHEMBL31465796 0.66 ALDH1A1 (0.63) ALDH1A1MAPK1MAOBMAOANPC1

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
WO-2011061439-A1 CATALYTIC PHOSPHINATION METHOD UNIVERSITE DE STRASBOURG (FR) 2011-05-26 WO disclosed