SCHEMBL6559285

SCHEMBL6559285

NC(Cc1ccc(O)cc1)C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 1/20 0.56
▸ IDO1 P14902 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ SLC7A5 Q01650 1/20 0.50
▸ HTR2A P28223 1/20 0.47
▸ ITGA4 P13612 1/20 0.46
▸ ITGB7 P26010 1/20 0.46
▸ MAOB P27338 1/20 0.46
▸ AKR1C3 P42330 1/20 0.46
▸ DPP8 Q6V1X1 1/20 0.45
▸ DPP9 Q86TI2 1/20 0.45
▸ HTT P42858 1/20 0.44

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
SCHEMBL6559288 1.00 MMP2 (0.56) MMP2IDO1RAB9ASLC7A5HTR2A
SCHEMBL7737719 0.90 RAB9A (0.55) MMP2IDO1RAB9AITGA4ITGB7
SCHEMBL6921335 0.87 GAA (0.57) IDO1RAB9AHTR2AMAOBHTT
SCHEMBL8012238 0.87 SLC7A5 (0.65) SLC7A5
Phenylmethanesulfonic Acid SCHEMBL10341839 0.87 ITGA4 (0.49) MMP2RAB9ASLC7A5ITGA4ITGB7
SCHEMBL9052704 0.86 MMP2 (0.54) MMP2IDO1SLC7A5HTR2AMAOB
SCHEMBL6559349 0.86 MMP2 (0.54) MMP2IDO1SLC7A5HTR2AMAOB
SCHEMBL8933432 0.86 MMP2 (0.54) MMP2IDO1SLC7A5HTR2AMAOB
SCHEMBL13396365 0.86 SLC7A5 (0.50) MMP2SLC7A5
Tyrosine SCHEMBL8933182 0.84 SLC7A5 (0.73) MMP2SLC7A5HTR2A

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 11 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
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