SCHEMBL6559779

SCHEMBL6559779

NC(C(=O)OCc1ccc([N+](=O)[O-])cc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.56
MAPT P10636 1/20 0.54
HTT P42858 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
NPC1 O15118 1/20 0.51
IDO1 P14902 2/20 0.50
HTR2A P28223 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
ITGA4 P13612 1/20 0.46
ITGB7 P26010 1/20 0.46
ALDH1A1 P00352 1/20 0.46
AKR1C3 P42330 1/20 0.46
ATM Q13315 1/20 0.45

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
SCHEMBL10885468 0.85 RAB9A (0.59) RAB9AMAPTHTTNPSR1NPC1
SCHEMBL11144069 0.84 RAB9A (0.52) RAB9AMAPTHTTNPSR1NPC1
SCHEMBL1745793 0.83 ALDH1A1 (0.53) TDP1ALDH1A1
SCHEMBL8804399 0.83 ALDH1A1 (0.53) TDP1ALDH1A1
SCHEMBL11472824 0.83 ALDH1A1 (0.53) TDP1ALDH1A1
SCHEMBL6772418 0.83 RAB9A (0.53) RAB9AMAPTHTTNPSR1NPC1
SCHEMBL9350698 0.83 RAB9A (0.56) RAB9AMAPTHTTNPSR1NPC1
SCHEMBL9877808 0.83 RAB9A (0.46) RAB9AMAPTHTTNPSR1NPC1
SCHEMBL7737719 0.82 RAB9A (0.55) RAB9ANPC1IDO1TDP1ITGA4
Hydrochloric Acid SCHEMBL10886394 0.82 ALDH1A1 (0.52) TDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0804441-B1 CLAVULANIC ACID EXTRACTION PROCESS SMITHKLINE BEECHAM PLC (GB) 2004-03-17 EP disclosed
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
US-6172221-B1 AMINE SALT FORMATION SMITHKLINE BEECHAM P.L.C. (GB) 2001-01-09 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-0806426-A1 Process for the preparation of clavulanic acid SMITHKLINE BEECHAM PLC (GB) 1997-11-12 EP disclosed
EP-0804441-A1 CLAVULANIC ACID EXTRACTION PROCESS SMITHKLINE BEECHAM PLC (GB) 1997-11-05 EP disclosed
EP-0801069-A1 Process for the preparation of clavulanic acid SMITHKLINE BEECHAM PLC (GB) 1997-10-15 EP disclosed
EP-0747383-A2 Polyamine salts of clavulanic acid SMITHKLINE BEECHAM PLC (GB) 1996-12-11 EP disclosed
WO-1996022296-A1 CLAVULANIC ACID EXTRACTION PROCESS SMITHKLINE BEECHAM P.L.C. (GB) 1996-07-25 WO disclosed
EP-0672669-A1 Process for the preparation of clavulanic acid SMITHKLINE BEECHAM PLC (GB) 1995-09-20 EP disclosed
EP-0672670-A1 Process for the preparation of clavulanic acid SMITHKLINE BEECHAM PLC (GB) 1995-09-20 EP disclosed
EP-0644887-A1 PROCESS FOR THE PREPARATION OF CLAVULANIC ACID. SMITHKLINE BEECHAM PLC (GB) 1995-03-29 EP disclosed
WO-1993025557-A1 PROCESS FOR THE PREPARATION OF CLAVULANIC ACID SMITHKLINE BEECHAM PLC (GB) 1993-12-23 WO disclosed