SCHEMBL1411040

SCHEMBL1411040

CC(C)C[C@H](NCc1cccc(CCC(=O)NO)c1)C(=O)OC1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 4/20 0.41
MMP2 P08253 3/20 0.41
MMP9 P14780 2/20 0.41
LTA4H P09960 1/20 0.41
LAP3 P28838 1/20 0.41
NPEPPS P55786 1/20 0.41
ERAP2 Q6P179 1/20 0.41
ERAP1 Q9NZ08 1/20 0.41
MAPK14 Q16539 2/20 0.41
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
NPR3 P17342 1/20 0.39
MEP1B Q16820 2/20 0.39
MMP1 P03956 1/20 0.38
MMP3 P08254 1/20 0.38
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
CTSK P43235 3/20 0.37

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
SCHEMBL1411042 1.00 ANPEP (0.41) ANPEPMMP2MMP9LTA4HLAP3
SCHEMBL1410836 0.90 ANPEP (0.42) ANPEPMMP2MMP9LTA4HLAP3
SCHEMBL1410835 0.90 ANPEP (0.42) ANPEPMMP2MMP9LTA4HLAP3
SCHEMBL14991225 0.86 MAPK14 (0.44) ANPEPMMP2MMP9LTA4HLAP3
SCHEMBL14991224 0.86 MAPK14 (0.44) ANPEPMMP2MMP9LTA4HLAP3
SCHEMBL1491354 0.85 HDAC1 (0.49) LTA4HNPR3HDAC2HDAC8HDAC6
SCHEMBL1491352 0.85 HDAC1 (0.49) LTA4HNPR3HDAC2HDAC8HDAC6
SCHEMBL2281258 0.81 EPHX1 (0.41) ANPEPMMP2MMP9LTA4HLAP3
SCHEMBL2281260 0.81 EPHX1 (0.41) ANPEPMMP2MMP9LTA4HLAP3
SCHEMBL1410069 0.79 HDAC1 (0.41) ANPEPMMP2MMP9MMP1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069291-B1 HDAC INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2017-12-20 EP disclosed
EP-2295410-A1 HDAC inhibitor Chroma Therapeutics Limited (GB) 2011-03-16 EP disclosed