SCHEMBL6185886

SCHEMBL6185886

O=C(O)CCCNC(=O)[C@H](NC(=O)CO)c1ccc(O)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAALAD2 Q9Y3Q0 1/20 0.43
LTA4H P09960 1/20 0.41
ATM Q13315 2/20 0.40
CYP1A1 P04798 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
ANPEP P15144 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL6616817 0.92 NAALAD2 (0.45) NAALAD2ATMCYP1A1CNR1CNR2
SCHEMBL6185880 0.90 NAALAD2 (0.43) NAALAD2LTA4HATMCYP1A1CNR1
SCHEMBL5742305 0.83 KMT2A (0.41) NAALAD2ATMCYP1A1CNR1CNR2
SCHEMBL6615392 0.82 CNR1 (0.36) NAALAD2ATMCNR1CNR2KMT2A
SCHEMBL6616814 0.81 NAALAD2 (0.45) NAALAD2ATMCYP1A1CNR1CNR2
SCHEMBL6617401 0.81 ACE (0.46) NAALAD2CNR1CNR2
SCHEMBL2942452 0.79 CNR1 (0.37) NAALAD2ATMCNR1CNR2KMT2A
SCHEMBL6618141 0.77 KMT2A (0.42) NAALAD2ATMCNR1CNR2ANPEP
SCHEMBL6613646 0.77 FOLH1 (0.39) NAALAD2ATMCNR1CNR2ANPEP
SCHEMBL4808140 0.77 FOLH1 (0.54) NAALAD2ATMCYP1A1CNR1CNR2

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-1521742-A1 DIPHENYLAZETIDINONE DERIVATIVES FOR TREATING DISORDERS OF THE LIPID METABOLISM AstraZeneca AB (SE) 2005-04-13 EP disclosed
EP-1427423-A1 BENZOTHIAZEPINE AND BENZOTHIADIAZEPINE DERIVATIVES WITH ILEAL BILE ACID TRANSPORT (IBAT) INHIBITORY ACTIVITY FOR THE TREATMENT HYPERLIPIDAEMIA AstraZeneca AB (SE) 2004-06-16 EP disclosed
WO-2004005247-A1 DIPHENYLAZETIDINONE DERIVATIVES FOR TREATING DISORDERS OF THE LIPID METABOLISM ASTRAZENECA AB (SE) 2004-01-15 WO disclosed
WO-2003022286-A1 BENZOTHIAZEPINE AND BENZOTHIADIAZEPINE DERIVATIVES WITH ILEAL BILE ACID TRANSPORT (IBAT) INHIBITORY ACTIVITY FOR THE TREATMENT HYPERLIPIDAEMIA ASTRAZENECA AB (SE) 2003-03-20 WO disclosed