SCHEMBL7955112

SCHEMBL7955112

CC(C)CC(C(=O)NN)[C@H](CNC(=O)c1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.40
NPSR1 Q6W5P4 5/20 0.40
POLB P06746 5/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 2/20 0.40
ADAM17 P78536 1/20 0.40
CTSL P07711 2/20 0.40
CTSK P43235 2/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
GAA P10253 2/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPK1 P28482 3/20 0.39
ATM Q13315 2/20 0.39
PRSS1 P07477 1/20 0.39
CTSG P08311 1/20 0.39
CTRB1 P17538 1/20 0.39
CMA1 P23946 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL7836648 1.00 MAPT (0.40) MAPTNPSR1POLBKMT2AMEN1
SCHEMBL27508603 0.89 KMT2A (0.43) MAPTNPSR1POLBKMT2AMEN1
SCHEMBL7955175 0.89 KMT2A (0.43) MAPTNPSR1POLBKMT2AMEN1
SCHEMBL6981775 0.89 KMT2A (0.43) MAPTNPSR1POLBKMT2AMEN1
SCHEMBL6983139 0.87 MAPT (0.38) MAPTNPSR1POLBKMT2AMEN1
SCHEMBL7957323 0.83 CTSK (0.53) CTSLCTSKCTSBCTSS
SCHEMBL6983177 0.81 ADAM17 (0.44) MAPTNPSR1POLBKMT2AMEN1
SCHEMBL6945114 0.81 ADAM17 (0.37) MAPTNPSR1POLBKMT2AMEN1
SCHEMBL2322450 0.81 NPC1 (0.49) KMT2AGAAHSD17B10PRSS1CTSG
SCHEMBL7960576 0.78 KDM4E (0.36) MAPTNPSR1POLBKMT2AMEN1

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