SCHEMBL7957592

SCHEMBL7957592

CC(C)C[C@@H](C(=O)NN1C(=O)CN(C)C1=S)[C@H](CC=Cc1ccccc1)C(=O)NOC1CCCCO1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.37
TGFBR1 P36897 1/20 0.32
APP P05067 1/20 0.32
CTSK P43235 1/20 0.31
P2RX3 P56373 1/20 0.30
MMP2 P08253 2/20 0.30
MMP9 P14780 2/20 0.30
ANPEP P15144 2/20 0.30
LTA4H P09960 1/20 0.30
LAP3 P28838 1/20 0.30
NPEPPS P55786 1/20 0.30
ERAP2 Q6P179 1/20 0.30
ERAP1 Q9NZ08 1/20 0.30

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
SCHEMBL7957588 1.00 ADAM17 (0.37) ADAM17TGFBR1APPCTSKP2RX3
SCHEMBL7957347 0.93 ADAM17 (0.38) ADAM17TGFBR1APPCTSKP2RX3
SCHEMBL7957348 0.93 ADAM17 (0.38) ADAM17TGFBR1APPCTSKP2RX3
SCHEMBL6946529 0.88 ADAM17 (0.40) ADAM17TGFBR1APPCTSKP2RX3
SCHEMBL6946530 0.88 ADAM17 (0.40) ADAM17TGFBR1APPCTSKP2RX3
SCHEMBL7828157 0.87 ADAM17 (0.39) ADAM17TGFBR1APPCTSKP2RX3
SCHEMBL6221775 0.84 CTSK (0.39) ADAM17CTSK
SCHEMBL7955132 0.84 ADAM17 (0.44) ADAM17TGFBR1APPP2RX3MMP2
SCHEMBL7835552 0.84 ADAM17 (0.44) ADAM17TGFBR1APPP2RX3MMP2
SCHEMBL7839914 0.83 ADAM17 (0.39) ADAM17TGFBR1APPCTSKP2RX3

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
US-6281363-B1 ANTIINFLAMMATORY AGENTS; ANTIARTHRITIC AGENTS; AUTOIMMUNE DISORDERS HOFFMANN-LA ROCHE INC. 2001-08-28 US disclosed