SCHEMBL7865835

SCHEMBL7865835

NC(Cc1ccc(O)cc1)C(=O)OCc1ccccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 1/20 0.47
MAOB P27338 1/20 0.46
ALDH1A1 P00352 5/20 0.46
SLC7A5 Q01650 1/20 0.46
HDAC8 Q9BY41 2/20 0.42
MMP2 P08253 1/20 0.42
HTT P42858 1/20 0.41
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
TSHR P16473 1/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL28393254 1.00 KDM4A (0.47) KDM4AMAOBALDH1A1SLC7A5HDAC8
SCHEMBL12869704 0.92 KDM4A (0.49) KDM4AMAOBALDH1A1SLC7A5MMP2
Tyrosine SCHEMBL7373359 0.85 SLC7A5 (0.57) KDM4AMAOBALDH1A1SLC7A5
SCHEMBL23525317 0.83 ALDH1A1 (0.49) KDM4AMAOBALDH1A1HTTMAPT
Tyrosine SCHEMBL27680838 0.82 KDM4A (0.64) KDM4AMAOBSLC7A5NPC1RAB9A
SCHEMBL1057910 0.82 KMT2A (0.51) KDM4AMAOBALDH1A1HTTTSHR
SCHEMBL7897984 0.82 MAOB (0.47) KDM4AMAOBALDH1A1HTTMAPT
SCHEMBL2780596 0.82 MAOB (0.47) KDM4AMAOBALDH1A1HTTMAPT
SCHEMBL7897985 0.81 ALDH1A1 (0.46) KDM4AMAOBALDH1A1HTTMAPT
SCHEMBL7897989 0.81 ALDH1A1 (0.46) KDM4AMAOBALDH1A1HTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6300495-B1 REACTING ORGANIC AMINE SALT OF CLAVULANIC ACID WITH METAL SALT IN LIQUID MEDIUM OF FLUORINATED AND/OR CHLORINATED HYDROCARBON SMITHKLINE BEECHAM P.L.C. (GB) 2001-10-09 US disclosed
EP-0970087-A1 A PROCESS FOR THE PREPARATION OF A METAL SALT OF CLAVULANIC ACID SMITHKLINE BEECHAM PLC (GB) 2000-01-12 EP disclosed
WO-1998045300-A1 A PROCESS FOR THE PREPARATION OF A METAL SALT OF CLAVULANIC ACID SMITHKLINE BEECHAM PLC (GB) 1998-10-15 WO disclosed
EP-0804441-A1 CLAVULANIC ACID EXTRACTION PROCESS SMITHKLINE BEECHAM PLC (GB) 1997-11-05 EP disclosed
WO-1996022296-A1 CLAVULANIC ACID EXTRACTION PROCESS SMITHKLINE BEECHAM P.L.C. (GB) 1996-07-25 WO disclosed