SCHEMBL6989183

SCHEMBL6989183

Nc1cc(CC=O)ccc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.51
GAA P10253 10/20 0.51
GFER P55789 1/20 0.51
MAPT P10636 6/20 0.44
XDH P47989 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
HSD17B10 Q99714 5/20 0.43
ALOX15 P16050 4/20 0.43
HPGD P15428 4/20 0.43
ALOX12 P18054 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 1/20 0.43
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
KDM4E B2RXH2 4/20 0.42
ALDH2 P05091 1/20 0.42
GABRA1 P14867 1/20 0.42

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
SCHEMBL4750717 0.83 KDM4E (0.63) ALDH1A1GAAGFERMAPTXDH
SCHEMBL5139554 0.82 XDH (0.68) ALDH1A1GAAGFERMAPTXDH
SCHEMBL29929036 0.80 XDH (0.65) ALDH1A1GAAGFERMAPTXDH
SCHEMBL891837 0.80 XDH (0.65) ALDH1A1GAAGFERMAPTXDH
SCHEMBL29860720 0.78 GAA (0.67) ALDH1A1GAAGFERMAPTCA12
SCHEMBL31484728 0.78 ALDH1A1 (0.53) ALDH1A1GAAGFERMAPTCA12
SCHEMBL29412587 0.78 GAA (0.67) ALDH1A1GAAGFERMAPTCA12
SCHEMBL9008919 0.78 ALDH1A1 (0.53) ALDH1A1GAAGFERMAPTCA12
SCHEMBL564615 0.78 GAA (0.67) ALDH1A1GAAGFERMAPTCA12
SCHEMBL11981918 0.76 ALDH1A1 (0.45) ALDH1A1GAAGFERMAPTCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1324998-A1 NOVEL AMINOTRIAZOLONE COMPOUNDS, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Les Laboratoires Servier (FR) 2003-07-09 EP disclosed
WO-2002030923-A1 NOVEL AMINOTRIAZOLONE COMPOUNDS, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2002-04-18 WO disclosed
US-5776983-A ANTIDIABETIC AGENTS, OBESITY, GASTROINTESTINAL DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-07-07 US disclosed