SCHEMBL28118929

SCHEMBL28118929

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.42
RNPEP Q9H4A4 1/20 0.42
DNPEP Q9ULA0 1/20 0.42
CTSB P07858 1/20 0.39
SLC15A1 P46059 1/20 0.38
CAPN1 P07384 1/20 0.38
LTA4H P09960 1/20 0.38
PSMB5 P28074 1/20 0.37
CA12 O43570 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
GPR88 Q9GZN0 1/20 0.37
ACE2 Q9BYF1 1/20 0.37
F13A1 P00488 1/20 0.36
TGM2 P21980 1/20 0.36
TGM1 P22735 1/20 0.36
SLC1A3 P43003 1/20 0.36
SLC1A1 P43005 1/20 0.36

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
SCHEMBL27809385 0.92 ANPEP (0.48) ANPEPRNPEPDNPEPCTSBSLC15A1
SCHEMBL2478309 0.84 ANPEP (0.40) ANPEPRNPEPDNPEPCTSBSLC15A1
SCHEMBL10443784 0.83 SLC15A1 (0.46) ANPEPRNPEPDNPEPCTSBSLC15A1
SCHEMBL28790921 0.82 SLC15A1 (0.50) SLC15A1LTA4HSLC1A3SLC1A1
SCHEMBL27715040 0.81 ANPEP (0.40) ANPEPRNPEPDNPEPCTSBSLC15A1
SCHEMBL27809380 0.80 CAPN1 (0.39) ANPEPRNPEPDNPEPCTSBSLC15A1
SCHEMBL6825539 0.80 ANPEP (0.43) ANPEPRNPEPDNPEPCTSBSLC15A1
SCHEMBL8744670 0.80 SLC1A3 (0.41) ANPEPRNPEPDNPEPCTSBSLC1A3
SCHEMBL8586811 0.79 CTSB (0.47) ANPEPRNPEPDNPEPCTSBSLC15A1
SCHEMBL11433447 0.79 SLC1A1 (0.41) ANPEPRNPEPDNPEPCTSBSLC15A1

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-B II type anti-CD 20 antibodies and the conjoint therapy of proteasome inhibitor ROCHE GLYCART AG (CH) 2016-12-14 CN disclosed