SCHEMBL3415084

SCHEMBL3415084

CC(=O)c1cccc(NC(=O)c2ccc(OCCCCc3ccccc3)cc2)c1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.62
BCHE P06276 7/20 0.58
ACHE P22303 7/20 0.58
BACE1 P56817 2/20 0.58
PLK1 P53350 4/20 0.57
CYSLTR2 Q9NS75 6/20 0.55
CYSLTR1 Q9Y271 6/20 0.55
PLK3 Q9H4B4 3/20 0.51
MEN1 O00255 2/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
KMT2A Q03164 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ABCC4 O15439 1/20 0.49
ABCB11 O95342 1/20 0.49
PGR P06401 1/20 0.49
HTR1A P08908 1/20 0.49
AR P10275 1/20 0.49
CHRM1 P11229 1/20 0.49
DRD1 P21728 1/20 0.49

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
SCHEMBL6577550 0.99 NR1H4 (0.61) NR1H4BCHEACHEBACE1PLK1
SCHEMBL6581893 0.94 BCHE (0.55) NR1H4BCHEACHEBACE1PLK1
SCHEMBL6577993 0.90 PLK1 (0.61) PLK1PLK3
SCHEMBL6581823 0.88 PLK1 (0.58) NR1H4PLK1PLK3SMN1; SMN2
SCHEMBL6577738 0.87 NPC1 (0.63) NR1H4BCHEACHEBACE1PLK1
SCHEMBL6577703 0.87 PLK1 (0.64) NR1H4BCHEACHEBACE1PLK1
SCHEMBL7476882 0.86 NR1H4 (0.58) NR1H4BCHEACHEBACE1PLK1
SCHEMBL3088276 0.85 NR1H4 (0.61) NR1H4PLK1CYSLTR2CYSLTR1ABCC4
SCHEMBL6580071 0.84 PLK1 (0.58) NR1H4BCHEACHEBACE1PLK1
SCHEMBL28418450 0.84 PLK1 (0.60) NR1H4BCHEACHEBACE1PLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-10087590-A None JP disclosed
WO-2010002075-A1 METHODS FOR PREPARING AMIDE DERIVATIVES PHARMACOSTECH CO., LTD. (KR) 2010-01-07 WO disclosed
WO-2010002075-A1 METHODS FOR PREPARING AMIDE DERIVATIVES PHARMACOSTECH CO., LTD. (KR) 2010-01-07 WO disclosed
US-7364881-B1 Biological process for the conversion of nitroarenes to ortho-aminophenols using recombinant E. coli strains UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2008-04-29 US disclosed
EP-0716088-B1 PROCESS FOR PRODUCING 2-(TETRAZOL-5-YL)-4-OXO-4H-BENZOPYRANS SUMITOMO CHEMICAL CO (JP) 2004-02-18 EP disclosed
EP-0670835-B1 PROCESS FOR PREPARING BENZOPYRAN COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 2003-03-12 EP disclosed
EP-0920427-B1 PROCESS FOR THE PREPARATION OF BENZOPYRAN COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 2002-11-20 EP disclosed
US-6048983-A Process for the preparation of benzopyran compounds SMITHKLINE BEECHAM PL.C (GB) 2000-04-11 US disclosed
EP-0920427-A1 PROCESS FOR THE PREPARATION OF BENZOPYRAN COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 1999-06-09 EP disclosed
JP-H1087590-A PRODUCTION OF CARBOXYLIC ACID AMIDE COMPOUND SHOWA KAKO KK 1998-04-07 JP disclosed
WO-1998006718-A1 PROCESS FOR THE PREPARATION OF BENZOPYRAN COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 1998-02-19 WO disclosed
US-5675036-A Process for preparing aromatic amide compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-10-07 US disclosed
US-5616721-A Process for preparing benzopyran compounds SMITHKLINE BEECHAM PLC (GB) 1997-04-01 US disclosed
US-5597929-A Production process of 2-(tetrazol-5-yl)-4-oxo-4H-benzopyran SUMITOMO CHEMICAL CO., LTD. (JP) 1997-01-28 US disclosed
US-5596103-A Process for preparing benzopyran compounds SMITHKLINE BEECHAM PLC (GB) 1997-01-21 US disclosed
US-5587483-A Process for preparing tetrazol-5-yl substituted benzopyran compounds SMITHKLINE BEECHAM PLC (GB) 1996-12-24 US disclosed
EP-0716088-A1 PROCESS FOR PRODUCING 2-(TETRAZOL-5-YL)-4-OXO-4H-BENZOPYRANS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-06-12 EP disclosed
EP-0670835-A1 PROCESS FOR PREPARING BENZOPYRAN COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 1995-09-13 EP disclosed
WO-1994012492-A1 PROCESS FOR PREPARING BENZOPYRAN COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 1994-06-09 WO disclosed