SCHEMBL3965550

SCHEMBL3965550

CN(C)Cc1ccccc1C(=O)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.51
SLC6A4 P31645 2/20 0.51
SLC6A3 Q01959 1/20 0.51
POLB P06746 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 3/20 0.42
TSHR P16473 2/20 0.42
FOLH1 Q04609 1/20 0.42
KDM4E B2RXH2 1/20 0.41
KMT2A Q03164 1/20 0.40
EGFR P00533 2/20 0.40
HPGD P15428 1/20 0.39
ITGB1 P05556 1/20 0.38
ITGA4 P13612 1/20 0.38
ITGB7 P26010 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
SCHEMBL1421554 0.85 FOLH1 (0.58) SLC6A2SLC6A4SLC6A3ALDH1A1TSHR
SCHEMBL7244380 0.83 FOLH1 (0.56) SLC6A2SLC6A4SLC6A3ALDH1A1TSHR
Hydrochloric Acid SCHEMBL29690743 0.83 FOLH1 (0.56) SLC6A2SLC6A4SLC6A3ALDH1A1TSHR
SCHEMBL3307119 0.81 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3ALDH1A1TSHR
SCHEMBL8853098 0.80 POLB (0.48) POLBCYP2C19ALDH1A1TSHRFOLH1
SCHEMBL97858 0.80 POLB (0.48) POLBCYP2C19ALDH1A1TSHRFOLH1
SCHEMBL11808128 0.80 SLC6A2 (0.66) SLC6A2SLC6A4SLC6A3ALDH1A1TSHR
SCHEMBL31213435 0.79 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3ALDH1A1TSHR
SCHEMBL168005 0.79 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3ALDH1A1TSHR
Bromide SCHEMBL8586980 0.79 SLC6A2 (0.64) SLC6A2SLC6A4SLC6A3ALDH1A1TSHR

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-2134673-A1 IMPROVED PROCESS FOR PREPARING O-CHLOROMETHYLPHENYLGLYOXYLIC ESTERS, IMPROVED PROCESS FOR PREPARING (E)-2-(2-CHLOROMETHYLPHENYL)-2-ALKOXIMINOACETIC ESTERS, AND NOVEL INTERMEDIATES FOR THEIR PREPARATION DSM Fine Chemicals Austria Nfg GmbH & Co KG (AT) 2009-12-23 EP disclosed
WO-2009037230-A2 IMPROVED PROCESS FOR PREPARING (E)-2-(2-CHLOROMETHYLPHENYL)-2-ALKOXIMINOACETIC ESTERS DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2009-03-26 WO disclosed
WO-2008125592-A1 IMPROVED PROCESS FOR PREPARING O-CHLOROMETHYLPHENYLGLYOXYLIC ESTERS, IMPROVED PROCESS FOR PREPARING (E)-2-(2-CHLOROMETHYLPHENYL)-2-ALKOXIMINOACETIC ESTERS, AND NOVEL INTERMEDIATES FOR THEIR PREPARATION DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2008-10-23 WO disclosed