SCHEMBL7476882

SCHEMBL7476882

CC(=O)c1cc(Cl)cc(NC(=O)c2ccc(OCCCCc3ccccc3)cc2)c1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 4/20 0.58
BCHE P06276 5/20 0.50
ACHE P22303 5/20 0.50
BACE1 P56817 1/20 0.50
PLK1 P53350 1/20 0.48
CYSLTR1 Q9Y271 6/20 0.48
CYSLTR2 Q9NS75 4/20 0.48
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
PLA2G4B P0C869 1/20 0.45
ABCC4 O15439 1/20 0.45
ABCB11 O95342 1/20 0.45
PGR P06401 1/20 0.45
HTR1A P08908 1/20 0.45
AR P10275 1/20 0.45
CHRM1 P11229 1/20 0.45
DRD1 P21728 1/20 0.45
PTGS1 P23219 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
SCHEMBL3415084 0.86 NR1H4 (0.62) NR1H4BCHEACHEBACE1PLK1
SCHEMBL6577550 0.85 NR1H4 (0.61) NR1H4BCHEACHEBACE1PLK1
SCHEMBL9713250 0.83 KCNMA1 (0.62) NR1H4CYSLTR1CYSLTR2MEN1NPC1
SCHEMBL9713649 0.81 NR1H4 (0.63) NR1H4BCHEACHEBACE1PLK1
SCHEMBL6581838 0.80 NR1H4 (0.68) NR1H4BCHEACHEBACE1CYSLTR1
SCHEMBL6581893 0.79 BCHE (0.55) NR1H4BCHEACHEBACE1PLK1
SCHEMBL6580317 0.79 NR1H4 (0.67) NR1H4BCHEACHEBACE1PLK1
SCHEMBL9713671 0.78 NR1H4 (0.64) NR1H4PLK1CYSLTR1CYSLTR2MEN1
SCHEMBL9857004 0.77 NR1H4 (0.56) NR1H4CYSLTR1CYSLTR2MEN1NPC1
SCHEMBL10719026 0.77 NR1H4 (0.55) NR1H4CYSLTR1CYSLTR2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-1998006718-A1 PROCESS FOR THE PREPARATION OF BENZOPYRAN COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 1998-02-19 WO disclosed