SCHEMBL4694869

SCHEMBL4694869

COc1cccc(C(Br)(NCC(=O)OC(C)(C)C)C(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.42
GFER P55789 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 2/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
STAT1 P42224 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP1A2 P05177 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CACNA1B Q00975 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TP53 P04637 1/20 0.37
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
MTNR1A P48039 1/20 0.36

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
SCHEMBL4138812 0.86 ALDH1A1 (0.40) LMNAGFERHSD17B10L3MBTL1NPC1
SCHEMBL2063133 0.85 LMNA (0.42) LMNAGFERHSD17B10L3MBTL1NPC1
SCHEMBL18814851 0.76 NPC1 (0.42) LMNAGFERHSD17B10L3MBTL1NPC1
SCHEMBL9133529 0.74 MTNR1A (0.55) LMNANPC1RAB9AMAPTMAPK1
SCHEMBL1356271 0.74 AKR1C3 (0.52) LMNANPC1RAB9AMAPTMAPK1
SCHEMBL6288739 0.72 CES2 (0.49) LMNANPC1RAB9AMAPTMAPK1
SCHEMBL18767255 0.72 GFER (0.44) GFERHSD17B10L3MBTL1NPC1RAB9A
SCHEMBL6432710 0.72 MEN1 (0.59) LMNAHTTSMN1; SMN2MEN1KMT2A
SCHEMBL9574965 0.71 CYP2C19 (0.44) L3MBTL1MAPTKMT2AMTNR1AMTNR1B
SCHEMBL14476942 0.71 KCNN4 (0.47) L3MBTL1MAPTKMT2AKIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1569935-B1 HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREOF AND USE OF SAME AS MEDICAMENTS, SUCH AS ANTI-BACTERIAL MEDICAMENTS AND BETA-LACTAMASE INHIBITORS NOVEXEL (FR) 2008-08-20 EP disclosed
EP-1798231-A2 Intermediate products for the preparation of antibacterial compounds NOVEXEL (FR) 2007-06-20 EP disclosed
EP-1399444-B1 NOVEL HETEROCYCLIC COMPOUNDS, METHOD FOR PREPARING SAME AND USE THEREOF AS MEDICINES, IN PARTICULAR AS ANTI-BACTERIAL AGENTS NOVEXEL (FR) 2007-04-11 EP disclosed
EP-1569935-A1 HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREOF AND USE OF SAME AS MEDICAMENTS, SUCH AS ANTI-BACTERIAL MEDICAMENTS AND BETA-LACTAMASE INHIBITORS Aventis Pharma S.A. (FR) 2005-09-07 EP disclosed
WO-2004052891-A1 HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREOF AND USE OF SAME AS MEDICAMENTS, SUCH AS ANTI-BACTERIAL MEDICAMENTS AND BETA-LACTAMASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2004-06-24 WO disclosed
EP-1399444-A2 NOVEL HETEROCYCLIC COMPOUNDS, METHOD FOR PREPARING SAME AND USE THEREOF AS MEDICINES, IN PARTICULAR AS ANTI-BACTERIAL AGENTS Aventis Pharma S.A. (FR) 2004-03-24 EP disclosed
WO-2002100860-A2 HETEROCYCLIC COMPOUNDS, METHOD FOR PREPARING SAME AND USE THEREOF AS MEDICINES, IN PARTICULAR AS ANTI-BACTERIAL AGENTS AVENTIS PHARMA S.A. (FR) 2002-12-19 WO disclosed