SCHEMBL553770

SCHEMBL553770

COc1ccc(COc2ccccc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.69
MAOB P27338 3/20 0.67
NPC1 O15118 2/20 0.66
RAB9A P51151 2/20 0.66
POLB P06746 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
MEN1 O00255 1/20 0.64
BCHE P06276 1/20 0.64
KMT2A Q03164 1/20 0.64
FFAR1 O14842 1/20 0.62
LTA4H P09960 1/20 0.61
LMNA P02545 1/20 0.59
CYP1A2 P05177 1/20 0.59
PTGS1 P23219 1/20 0.59
SLC6A2 P23975 1/20 0.59
CYP2C19 P33261 1/20 0.59
PTGS2 P35354 1/20 0.59
SLC6A3 Q01959 1/20 0.59
HIF1A Q16665 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59

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
SCHEMBL11844522 0.94 LTA4H (0.67) APPMAOBNPC1RAB9APOLB
SCHEMBL791985 0.94 MAOB (0.69) APPMAOBNPC1RAB9APOLB
SCHEMBL22562 0.93 NPC1 (0.63) APPMAOBNPC1RAB9APOLB
SCHEMBL20000873 0.91 APP (0.80) APPMAOBNPC1RAB9APOLB
SCHEMBL20367158 0.90 GSTP1 (0.63) APPMAOBNPC1RAB9APOLB
SCHEMBL19091938 0.90 GSTP1 (0.63) APPMAOBNPC1RAB9APOLB
SCHEMBL8845456 0.88 LTA4H (0.63) APPMAOBNPC1RAB9APOLB
SCHEMBL10609652 0.87 LMNA (0.75) APPMAOBRAB9ASMN1; SMN2BCHE
SCHEMBL850999 0.87 APP (0.78) APPMAOBRAB9ASMN1; SMN2BCHE
SCHEMBL10706959 0.83 MAOB (0.57) APPMAOBNPC1RAB9APOLB

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6156774-A Beta-thiopropionyl-amino acid derivatives and their use as beta-lactamase inhibitors SMITHKLINE BEECHAM P.L.C. (GB) 2000-12-05 US claimed
EP-1000024-A1 MERCAPTOACYLAMINO ACIDS AS METALLO-BETA-LACTAMASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2000-05-17 EP claimed
EP-0970062-A2 PYRROLIDINE AND THIAZOLE DERIVATIVES WITH METALLO-BETA-LACTAMASE INHIBITORY PROPERTIES SMITHKLINE BEECHAM PLC (GB) 2000-01-12 EP claimed
EP-0934262-A1 BETA-THIOPROPIONYL-AMINO ACID DERIVATIVES AND THEIR USE AS BETA-LACTAMASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 1999-08-11 EP claimed
WO-1999006365-A1 MERCAPTOACYLAMINO ACIDS AS METALLO-BETA-LACTAMASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 1999-02-11 WO claimed
WO-1998040056-A2 PYRROLIDINE AND THIAZOLE DERIVATIVES WITH METALLO-BETA-LACTAMASE INHIBITORY PROPERTIES SMITHKLINE BEECHAM PLC (GB) 1998-09-17 WO claimed
WO-1998017639-A1 BETA-THIOPROPIONYL-AMINO ACID DERIVATIVES AND THEIR USE AS BETA-LACTAMASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 1998-04-30 WO claimed
CN-119613363-A Synthesis method of 4- (2-H-pyranoxy) phenylmalonic acid-4-methoxybenzyl monoester 山西新天源药业有限公司 2025-03-14 CN disclosed
EP-4310062-A2 LOW CHLORIDE MINERAL WOOL PRODUCT ROCKWOOL A/S (DK) 2024-01-24 EP disclosed
CN-111247148-B Wnt pathway modulators 新加坡科技研究局 2022-12-20 CN disclosed
CN-111247148-A Wnt pathway modulators 新加坡科技研究局 2020-06-05 CN disclosed
US-20150136301-A1 ADHESIVE MATERIAL COMPOSITION AND METHOD R.R. DONNELLEY & SONS COMPANY 2015-05-21 US disclosed
US-20150037535-A1 Organic/Inorganic Composite, Manufacturing Method Therefor, Organic/Inorganic Composite Film, Manufacturing Method Therefor, Photonic Crystal, Coating Material, Thermoplastic Composition, Microstructure, Optical Material, Antireflection Member, and Optical Lens ASAHI KASEI CHEMICALS CORPORATION (JP) 2015-02-05 US disclosed
EP-1000024-A1 MERCAPTOACYLAMINO ACIDS AS METALLO-BETA-LACTAMASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2000-05-17 EP disclosed
EP-0970062-A2 PYRROLIDINE AND THIAZOLE DERIVATIVES WITH METALLO-BETA-LACTAMASE INHIBITORY PROPERTIES SMITHKLINE BEECHAM PLC (GB) 2000-01-12 EP disclosed
EP-0934262-A1 BETA-THIOPROPIONYL-AMINO ACID DERIVATIVES AND THEIR USE AS BETA-LACTAMASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 1999-08-11 EP disclosed
WO-1999006365-A1 MERCAPTOACYLAMINO ACIDS AS METALLO-BETA-LACTAMASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 1999-02-11 WO disclosed
WO-1998040056-A2 PYRROLIDINE AND THIAZOLE DERIVATIVES WITH METALLO-BETA-LACTAMASE INHIBITORY PROPERTIES SMITHKLINE BEECHAM PLC (GB) 1998-09-17 WO disclosed
WO-1998017639-A1 BETA-THIOPROPIONYL-AMINO ACID DERIVATIVES AND THEIR USE AS BETA-LACTAMASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 1998-04-30 WO disclosed
EP-0664316-A1 Polycarbonate composition having improved resistance to gamma-ray radiation TEIJIN LIMITED (JP) 1995-07-26 EP disclosed