SCHEMBL27809385

SCHEMBL27809385

CC(C)CC(N)C(=O)N(C(=O)OCc1ccccc1)C(Cc1ccccc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.48
RNPEP Q9H4A4 1/20 0.48
DNPEP Q9ULA0 1/20 0.48
SLC15A1 P46059 1/20 0.43
LTA4H P09960 1/20 0.43
CAPN1 P07384 1/20 0.42
CTSB P07858 2/20 0.42
GPR88 Q9GZN0 1/20 0.42
SLC1A3 P43003 2/20 0.41
SLC1A1 P43005 2/20 0.41
ALPI P09923 1/20 0.41
PKM P14618 1/20 0.41
PTGS1 P23219 1/20 0.41
XIAP P98170 1/20 0.41
SLC7A5 Q01650 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
SLC1A2 P43004 1/20 0.40
ABCB1 P08183 1/20 0.40
CTSK P43235 2/20 0.40
CTSL P07711 1/20 0.40

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
SCHEMBL28118929 0.92 ANPEP (0.42) ANPEPRNPEPDNPEPSLC15A1LTA4H
SCHEMBL10443784 0.91 SLC15A1 (0.46) ANPEPRNPEPDNPEPSLC15A1LTA4H
SCHEMBL2478309 0.89 ANPEP (0.40) ANPEPRNPEPDNPEPSLC15A1LTA4H
SCHEMBL28790921 0.89 SLC15A1 (0.50) SLC15A1LTA4HSLC1A3SLC1A1ALPI
SCHEMBL27715040 0.88 ANPEP (0.40) ANPEPRNPEPDNPEPSLC15A1CAPN1
SCHEMBL27809380 0.88 CAPN1 (0.39) ANPEPRNPEPDNPEPSLC15A1LTA4H
SCHEMBL6825539 0.87 ANPEP (0.43) ANPEPRNPEPDNPEPSLC15A1LTA4H
SCHEMBL8744670 0.87 SLC1A3 (0.41) ANPEPRNPEPDNPEPCTSBSLC1A3
SCHEMBL11433447 0.86 SLC1A1 (0.41) ANPEPRNPEPDNPEPSLC15A1LTA4H
SCHEMBL7938097 0.85 ANPEP (0.38) ANPEPRNPEPDNPEPCAPN1CTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102083499-A Combination therapy of a type II anti-CD20 antibody with a proteasome inhibitor HOFFMANN LA ROCHE 2011-06-01 CN disclosed