SCHEMBL4694865

SCHEMBL4694865

COc1ccc(Br)c(C(NCC(=O)OC(C)(C)C)C(=O)O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.38
PTPRC P08575 2/20 0.37
MAPT P10636 3/20 0.36
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
ITGB2 P05107 1/20 0.36
ICAM1 P05362 1/20 0.36
ITGAL P20701 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
ITGB1 P05556 1/20 0.34
ITGA4 P13612 1/20 0.34
AKR1C3 P42330 3/20 0.34
AKR1C2 P52895 3/20 0.34
AKR1C1 Q04828 1/20 0.34

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
SCHEMBL4138810 0.88 MAPT (0.37) HPGDPTPRCMAPTMTNR1AMTNR1B
SCHEMBL4695109 0.77 PTPRC (0.33) PTPRCMAPTMTNR1AMTNR1BNPC1
SCHEMBL4213873 0.72 CTSB (0.40) PTPRC
SCHEMBL4694873 0.72 NR1D1 (0.34) HPGDMTNR1AMTNR1BAKR1C3AKR1C2
SCHEMBL5252254 0.72 KDM4E (0.39) PTPRCMTNR1AMTNR1B
SCHEMBL5246965 0.72 CTSS (0.48) PTPRCMEN1KMT2A
SCHEMBL18305097 0.71 TSHR (0.39) PTPRCMAPTPPARGPPARA
SCHEMBL19511153 0.71 LDHA (0.52) PPARGPPARAITGA4KMT2A
SCHEMBL7445535 0.70 ALOX15 (0.42) HPGDMAPTADRB2ADRB1ADRB3
SCHEMBL9037513 0.70 PTGS2 (0.55) HPGDAKR1C3AKR1C2PTGS1

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