SCHEMBL7723264

SCHEMBL7723264

CC(C)(C)OC(=O)NCCC[C@@H](N)C(=O)N(C(=O)OC(C)(C)C)[C@H](CCc1ccccc1)c1nc(C(=O)Nc2ccc3ccccc3c2)co1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.35
MMP1 P03956 1/20 0.35
MMP3 P08254 1/20 0.35
MMP9 P14780 1/20 0.35
MAPT P10636 2/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
CTSK P43235 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
BRD4 O60885 2/20 0.33
C3AR1 Q16581 2/20 0.33
SIGMAR1 Q99720 1/20 0.33
TLR7 Q9NYK1 2/20 0.32
BACE1 P56817 1/20 0.32
NAMPT P43490 1/20 0.32
NQO2 P16083 1/20 0.32
CCKBR P32239 1/20 0.32
NPR3 P17342 1/20 0.32
CA1 P00915 1/20 0.32

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
SCHEMBL7733653 0.86 MAPT (0.40) MAPTNPSR1CTSKNQO2
SCHEMBL7723327 0.85 MAPT (0.44) MMP1MMP3MMP9MAPTADORA3
SCHEMBL7730530 0.85 MAPT (0.38) MMP1MMP3MMP9MAPTADORA3
SCHEMBL7861048 0.78 C3AR1 (0.44) SCDMAPTNPSR1CTSKC3AR1
SCHEMBL7732052 0.74 RAB9A (0.43) MAPTTDP1
SCHEMBL7730721 0.70 LTA4H (0.40) MMP3MAPT
SCHEMBL7731104 0.70 MAPT (0.39) MMP1MMP3MMP9MAPTADORA3
SCHEMBL7731051 0.70 LMNA (0.39) MMP1MMP3MMP9MAPTADORA3
SCHEMBL7723247 0.69 MAPT (0.38) MMP1MMP3MMP9MAPTNPSR1
SCHEMBL7731132 0.69 HDAC4 (0.43) SCDMMP1MMP3MMP9MAPT

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
US-6436980-B1 TRANSPORT PROTEIN SUPPRESSORS; MICROBIOCIDES ESSENTIAL THERAPEUTICS, INC. 2002-08-20 US disclosed
US-6204279-B1 SECONDARY AMIDE CONTAINING BENZOXAZOLE DERIVATIVES MICROCIDE PHARMACEUTICALS, INC. 2001-03-20 US disclosed