SCHEMBL3237748

SCHEMBL3237748

CC(C)C[C@H](N)C(=O)N(C)[C@H]([C]=O)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 3/20 0.50
RNPEP Q9H4A4 2/20 0.50
DNPEP Q9ULA0 2/20 0.50
LTA4H P09960 1/20 0.44
GPR88 Q9GZN0 1/20 0.43
ALPI P09923 1/20 0.43
PKM P14618 1/20 0.43
PTGS1 P23219 1/20 0.43
XIAP P98170 1/20 0.43
SLC7A5 Q01650 1/20 0.43
HPGD P15428 1/20 0.43
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41
LARS1 Q9P2J5 1/20 0.39
SLC6A2 P23975 2/20 0.39
TAAR1 Q96RJ0 2/20 0.39
MAOA P21397 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39

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
SCHEMBL30534322 0.81 ANPEP (0.56) ANPEPRNPEPDNPEPLTA4HGPR88
SCHEMBL27926021 0.81 ANPEP (0.56) ANPEPRNPEPDNPEPLTA4HGPR88
SCHEMBL17992892 0.80 ANPEP (0.51) ANPEPRNPEPDNPEPLTA4HGPR88
SCHEMBL9470004 0.77 ALPI (0.44) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL9470006 0.77 ALPI (0.44) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL3060938 0.77 ALPI (0.50) ANPEPRNPEPDNPEPLTA4HALPI
SCHEMBL1649068 0.77 ALPI (0.50) ANPEPRNPEPDNPEPLTA4HALPI
SCHEMBL28221963 0.76 ANPEP (0.47) ANPEPRNPEPDNPEPLTA4HGPR88
SCHEMBL14493061 0.75 CTSK (0.46) ANPEPRNPEPDNPEPLTA4HHPGD
SCHEMBL5455803 0.75 CTSC (0.55) ANPEPALPIPKMPTGS1XIAP

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-2188246-B1 AMPHIPHILIC OXALAMIDE ORGANOGELATORS DESIGNED FOR GELATION OF ORGANIC SOLVENTS, WATER AND HYDROCARBON COMMERCIAL FUELS RUDJER BOSKOVIC INST (HR) 2015-06-17 EP disclosed
EP-2188246-A2 AMPHIPHILIC OXALAMIDE ORGANOGELATORS DESIGNED FOR GELATION OF ORGANIC SOLVENTS, WATER AND HYDROCARBON COMMERCIAL FUELS RUDJER BOSKOVIC INSTITUTE (HR) 2010-05-26 EP disclosed
WO-2009030964-A9 AMPHIPHILIC OXALAMIDE ORGANOGELATORS DESIGNED FOR GELATION OF ORGANIC SOLVENTS, WATER AND HYDROCARBON COMMERCIAL FUELS RUDJER BOSKOVIC INSTITUTE (HR) 2010-03-04 WO disclosed
WO-2009030964-A2 AMPHIPHILIC OXALAMIDE ORGANOGELATORS DESIGNED FOR GELATION OF ORGANIC SOLVENTS, WATER AND HYDROCARBON COMMERCIAL FUELS RUDJER BOSKOVIC INSTITUTE (HR) 2009-03-12 WO disclosed