SCHEMBL6560868

SCHEMBL6560868

COc1ccc(N(CC(=O)O)Cc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.56
RNF4 P78317 1/20 0.54
ACHE P22303 1/20 0.54
MAPK1 P28482 1/20 0.52
CNR2 P34972 3/20 0.52
CNR1 P21554 2/20 0.52
KEAP1 Q14145 3/20 0.52
NFE2L2 Q16236 2/20 0.52
TDP1 Q9NUW8 1/20 0.50
TRPM8 Q7Z2W7 1/20 0.50
ALDH1A1 P00352 2/20 0.49
LMNA P02545 1/20 0.49
RAB9A P51151 2/20 0.49
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPC1 O15118 1/20 0.48

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
SCHEMBL5191196 0.94 ACHE (0.54) NR3C1RNF4ACHEMAPK1CNR2
SCHEMBL16494668 0.90 RNF4 (0.53) NR3C1RNF4ACHEMAPK1CNR2
SCHEMBL5810482 0.89 ACHE (0.64) NR3C1ACHECNR2CNR1ALDH1A1
SCHEMBL28700635 0.88 PTPN1 (0.54) NR3C1RNF4ACHEMAPK1CNR2
SCHEMBL5811431 0.86 ACHE (0.53) NR3C1ACHECNR2KEAP1NFE2L2
SCHEMBL340292 0.85 KEAP1 (0.59) KEAP1NFE2L2RAB9AMAPTSMN1; SMN2
SCHEMBL7001778 0.85 CYP2C19 (0.63) NR3C1RNF4ACHEMAPK1CNR2
SCHEMBL10833174 0.84 TSPO (0.57) NR3C1KEAP1ALDH1A1LMNA
SCHEMBL5189401 0.84 TSHR (0.57) NR3C1CNR2ALDH1A1LMNARAB9A
SCHEMBL28565303 0.83 CYP2C19 (0.71) NR3C1CNR2CNR1KEAP1NFE2L2

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-0644887-A1 PROCESS FOR THE PREPARATION OF CLAVULANIC ACID. SMITHKLINE BEECHAM PLC (GB) 1995-03-29 EP claimed
WO-1993025557-A1 PROCESS FOR THE PREPARATION OF CLAVULANIC ACID SMITHKLINE BEECHAM PLC (GB) 1993-12-23 WO claimed
EP-0804441-B1 CLAVULANIC ACID EXTRACTION PROCESS SMITHKLINE BEECHAM PLC (GB) 2004-03-17 EP disclosed
US-6172221-B1 AMINE SALT FORMATION SMITHKLINE BEECHAM P.L.C. (GB) 2001-01-09 US disclosed
EP-0806426-A1 Process for the preparation of clavulanic acid SMITHKLINE BEECHAM PLC (GB) 1997-11-12 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
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
EP-0061765-B1 BETA-LACTAMS E.R. SQUIBB & SONS, INC. (US) 1985-08-28 EP disclosed
US-4478749-A AMINO ACID DERTIVATIVES ANTIBIOTICS E. R. SQUIBB & SONS, INC. (US) 1984-10-23 US disclosed
EP-0061765-A1 Beta-Lactams E.R. SQUIBB & SONS, INC. (US) 1982-10-06 EP disclosed