SCHEMBL5698772

SCHEMBL5698772

COc1ccc(NC(=O)COc2ccc(C(=O)Cl)cc2)cc1.COc1ccc(NC(=O)COc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.67
KMT2A Q03164 7/20 0.67
ALDH1A1 P00352 5/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
MAPT P10636 6/20 0.65
HPGD P15428 3/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
MAPK1 P28482 1/20 0.65
KDM4E B2RXH2 1/20 0.65
HTT P42858 1/20 0.55
HSD17B10 Q99714 1/20 0.55
LMNA P02545 1/20 0.54
HCAR2 Q8TDS4 1/20 0.53

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
SCHEMBL5431164 0.95 ALDH1A1 (0.74) MEN1KMT2AALDH1A1L3MBTL1MAPT
SCHEMBL5422115 0.93 MAPT (0.74) MEN1KMT2AALDH1A1L3MBTL1MAPT
SCHEMBL5426307 0.82 MAPT (0.74) MEN1KMT2AALDH1A1L3MBTL1MAPT
SCHEMBL17148029 0.82 MEN1 (0.78) MEN1KMT2AALDH1A1L3MBTL1MAPT
P-Anisic Acid SCHEMBL11874860 0.80 CA1 (0.80) ALDH1A1MAPTHPGDSMN1; SMN2MAPK1
SCHEMBL28584650 0.80 MEN1 (0.73) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL4295568 0.79 HIF1A (0.73) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL17148036 0.78 MAPT (0.76) MEN1KMT2AALDH1A1L3MBTL1MAPT
SCHEMBL5660811 0.78 GAA (0.60) MEN1KMT2AALDH1A1L3MBTL1MAPT
SCHEMBL9995867 0.77 ALDH1A1 (0.79) MEN1KMT2AALDH1A1MAPTHPGD

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-1687256-A1 NOVEL PHENOXYACETAMIDE DERIVATIVES AND USE THEREOF FOR THE PREPARATION OF DIPHENYLAMINES MERCK PATENT GmbH (DE) 2006-08-09 EP claimed
WO-2005051892-A1 NOVEL PHENOXYACETAMIDE DERIVATIVES AND USE THEREOF FOR THE PREPARATION OF DIPHENYLAMINES MERCK PATENT GMBH (DE) 2005-06-09 WO claimed