SCHEMBL453542

SCHEMBL453542

O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.60
CA1 P00915 4/20 0.58
CA12 O43570 1/20 0.51
CA9 Q16790 1/20 0.51
LNPEP Q9UIQ6 1/20 0.50
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
FOLH1 Q04609 1/20 0.48
NAALAD2 Q9Y3Q0 1/20 0.48
ACE P12821 1/20 0.47
PTPN1 P18031 1/20 0.47
ICMT O60725 1/20 0.46
ALOX5 P09917 1/20 0.46
ALB P02768 1/20 0.46
IL2 P60568 1/20 0.46
NHERF1 O14745 1/20 0.46
WDR5 P61964 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL453543 1.00 CA2 (0.60) CA2CA1CA12CA9LNPEP
SCHEMBL8297896 0.90 CA2 (0.53) CA2CA1CA12CA9LNPEP
SCHEMBL8588574 0.90 CA2 (0.59) CA2CA1ACEPTPN1ALOX5
SCHEMBL7971423 0.90 CA2 (0.59) CA2CA1ACEPTPN1ALOX5
SCHEMBL6938746 0.90 CA2 (0.59) CA2CA1ACEPTPN1ALOX5
SCHEMBL6850655 0.90 CA2 (0.59) CA2CA1ACEPTPN1ALOX5
SCHEMBL11121735 0.83 CA1 (0.64) CA2CA1CA12CA9LNPEP
SCHEMBL7510215 0.82 CA2 (0.59) CA2CA1ITGB3ITGA2BACE
SCHEMBL8104529 0.82 CA2 (0.59) CA2CA1ITGB3ITGA2BACE
SCHEMBL4364568 0.82 CA2 (0.65) CA2CA1CA12CA9ITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616169-A2 CHROMATOGRAPHY MEMBRANES FOR THE PURIFICATION OF CHIRAL COMPOUNDS Natrix Separations Inc. (CA) 2013-07-24 EP claimed
WO-2012037101-A2 CHROMATOGRAPHY MEMBRANES FOR THE PURIFICATION OF CHIRAL COMPOUNDS NATRIX SEPARATIONS INC. (CA) 2012-03-22 WO claimed
US-20120064601-A1 Chromatography Membranes for the Purification of Chiral Compounds NATRIX SEPARATIONS INC. (CA) 2012-03-15 US claimed
EP-2616169-A2 CHROMATOGRAPHY MEMBRANES FOR THE PURIFICATION OF CHIRAL COMPOUNDS Natrix Separations Inc. (CA) 2013-07-24 EP disclosed
WO-2012037101-A2 CHROMATOGRAPHY MEMBRANES FOR THE PURIFICATION OF CHIRAL COMPOUNDS NATRIX SEPARATIONS INC. (CA) 2012-03-22 WO disclosed
US-20120064601-A1 Chromatography Membranes for the Purification of Chiral Compounds NATRIX SEPARATIONS INC. (CA) 2012-03-15 US disclosed
US-7064234-B2 Enantioselective cation-exchange materials CHIRAL TECHNOLOGIES EUROPE SAS (FR) 2006-06-20 US disclosed
EP-1474234-B1 ENANTIOSELECTIVE CATION-EXCHANGE MATERIALS LINDNER WOLFGANG PROF DR (AT) 2005-07-20 EP disclosed
US-20050131087-A1 Enantioselective cation-exchange materials CHIRAL TECHNOLOGIES EUROPE SAS (FR) 2005-06-16 US disclosed
EP-1474234-A1 ENANTIOSELECTIVE CATION-EXCHANGE MATERIALS Lindner, Wolfgang, Prof. Dr. (AT) 2004-11-10 EP disclosed
WO-2003068397-A1 ENANTIOSELECTIVE CATION-EXCHANGE MATERIALS LINDNER WOLFGANG (AT) 2003-08-21 WO disclosed