SCHEMBL1250795

SCHEMBL1250795

O=C(NOC1CC(C(=O)O)N(C(=O)O)C1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 8/20 0.41
MMP2 P08253 1/20 0.41
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
ACE P12821 1/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
FAAH O00519 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL1250794 1.00 AGTR2 (0.41) AGTR2MMP2ALDH1A1POLBMAPT
SCHEMBL1250797 1.00 AGTR2 (0.41) AGTR2MMP2ALDH1A1POLBMAPT
SCHEMBL1248185 0.92 AGTR2 (0.41) AGTR2MMP2ALDH1A1POLBMAPT
SCHEMBL1248187 0.92 AGTR2 (0.41) AGTR2MMP2ALDH1A1POLBMAPT
SCHEMBL1248182 0.92 AGTR2 (0.41) AGTR2MMP2ALDH1A1POLBMAPT
SCHEMBL16316361 0.82 MMP2 (0.53) MMP2ALDH1A1POLBMAPTKMT2A
SCHEMBL5526977 0.79 CHRNA7 (0.50) KMT2AGAA
SCHEMBL1250970 0.76 MMP2 (0.62) AGTR2MMP2ALDH1A1KMT2ANPC1
SCHEMBL1250968 0.76 MMP2 (0.62) AGTR2MMP2ALDH1A1KMT2ANPC1
SCHEMBL1250974 0.76 MMP2 (0.62) AGTR2MMP2ALDH1A1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2279737-B1 Heterocyclic compounds that are active as beta lactamase inhibitors NOVEXEL (FR) 2012-10-31 EP disclosed
EP-2279737-A1 Heterocyclic compounds that are active as beta lactamase inhibitors NOVEXEL (FR) 2011-02-02 EP disclosed
EP-1480644-B1 NOVEL HETEROCYCLIC COMPOUNDS WHICH ARE ACTIVE AS INHIBITORS OF BETA+LACTAMASES NOVEXEL (FR) 2010-10-13 EP disclosed
EP-1480644-A2 NOVEL HETEROCYCLIC COMPOUNDS WHICH ARE ACTIVE AS INHIBITORS OF BETA+LACTAMASES Aventis Pharma S.A. (FR) 2004-12-01 EP disclosed
EP-1307457-B1 AZABICYCLIC COMPOUNDS, PREPARATION THEREOF AND USE AS MEDICINES, IN PARTICULAR AS ANTIBACTERIAL AGENTS AVENTIS PHARMA SA (FR) 2004-04-07 EP disclosed
WO-2003063864-A2 HETEROCYCLIC COMPOUNDS WHICH ARE ACTIVE AS INHIBITORS OF BETA LACTAMASES AVENTIS PHARMA S.A. (FR) 2003-08-07 WO disclosed