SCHEMBL6187630

SCHEMBL6187630

O=C(CO)N[C@@H](C(=O)NC[C@H](O)C(=O)O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.40
CTSK P43235 1/20 0.40
CTSL P07711 1/20 0.40
BCAT2 O15382 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LTA4H P09960 1/20 0.38
ANPEP P15144 1/20 0.38
SLC6A3 Q01959 1/20 0.37
PDE4D Q08499 1/20 0.37
GCGR P47871 1/20 0.37

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
SCHEMBL6618141 0.89 KMT2A (0.42) CTSSCTSLSMN1; SMN2ANPEPGCGR
SCHEMBL6270135 0.89 BCAT2 (0.43) CTSSCTSKCTSLBCAT2
SCHEMBL6157124 0.86 CTSS (0.40) CTSSCTSKCTSLBCAT2NPC1
SCHEMBL6618048 0.83 BCAT2 (0.40) CTSSCTSKCTSLBCAT2
SCHEMBL2945636 0.81 MME (0.48) CTSSCTSKCTSL
SCHEMBL6156983 0.81 CYP3A4 (0.48) CTSSCTSKCTSL
SCHEMBL4805252 0.80 NAALAD2 (0.51) LTA4HANPEP
SCHEMBL2939034 0.80 NAALAD2 (0.51) LTA4HANPEP
SCHEMBL6157147 0.78 TACR1 (0.55) CTSSCTSKCTSLLTA4H
SCHEMBL6156432 0.78 MMP1 (0.45) CTSSCTSK

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