SCHEMBL7382201

SCHEMBL7382201

N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)Nc1nccs1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.71
HDAC6 Q9UBN7 1/20 0.64
DPP8 Q6V1X1 3/20 0.54
DPP7 Q9UHL4 3/20 0.54
DPP4 P27487 2/20 0.53
DPP9 Q86TI2 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
PKM P14618 1/20 0.49
SLC1A3 P43003 1/20 0.47
SLC1A1 P43005 1/20 0.47
KDM4E B2RXH2 1/20 0.47
HTT P42858 1/20 0.46
FOLH1 Q04609 1/20 0.46
HSPA1A P0DMV8 1/20 0.46
HSPA5 P11021 1/20 0.46
HSPA9 P38646 1/20 0.46
HSPA2 P54652 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
SCHEMBL7868066 0.97 ANPEP (0.66) ANPEPHDAC6DPP8DPP7DPP4
SCHEMBL5057161 0.87 ANPEP (0.54) ANPEPHDAC6SMN1; SMN2L3MBTL1PKM
SCHEMBL7879190 0.85 PKM (0.54) ANPEPHDAC6SMN1; SMN2L3MBTL1PKM
SCHEMBL7383594 0.84 ANPEP (0.65) ANPEPHDAC6DPP8DPP7DPP4
SCHEMBL17646395 0.84 ANPEP (0.62) ANPEPHDAC6DPP8DPP7DPP4
SCHEMBL28341559 0.84 ANPEP (0.62) ANPEPHDAC6DPP8DPP7DPP4
Hydrochloric Acid SCHEMBL28344079 0.83 ANPEP (0.61) ANPEPHDAC6DPP8DPP7DPP4
Hydrochloric Acid SCHEMBL17646405 0.83 ANPEP (0.61) ANPEPHDAC6DPP8DPP7DPP4
SCHEMBL7873419 0.83 ANPEP (1.00) ANPEPDPP8DPP7DPP4DPP9
SCHEMBL31060496 0.82 ANPEP (0.73) ANPEPDPP8DPP7DPP4DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6329400-B1 INHIBITION OR ANTAGONISM OF MATRIX METALLOPROTEASES, AND/OR TUMOR NECROSIS FACTOR-ALPHA; EXTRACELLULAR MATRIX DEGRADATION, INHIBITION OF SHEDDING OF CELL SURFACE PROTEIN ECTODOMAINS AND CD23 PROTEOLYSIS GLAXO WELLCOME INC. 2001-12-11 US disclosed
EP-1019386-A1 REVERSE HYDROXAMATE DERIVATIVES AS METALLOPROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2000-07-19 EP disclosed
WO-1998038179-A1 REVERSE HYDROXAMATE DERIVATIVES AS METALLOPROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 1998-09-03 WO disclosed