SCHEMBL7955175

SCHEMBL7955175

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
GAA P10253 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PRSS1 P07477 1/20 0.42
CTSG P08311 1/20 0.42
CTRB1 P17538 1/20 0.42
CMA1 P23946 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
ITGAV P06756 3/20 0.41
PTPRC P08575 2/20 0.40
MAPT P10636 4/20 0.40
NPSR1 Q6W5P4 3/20 0.40
MEN1 O00255 2/20 0.40
POLB P06746 2/20 0.40
ADAM17 P78536 1/20 0.40
CTSL P07711 2/20 0.40

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
SCHEMBL27508603 1.00 KMT2A (0.43) KMT2AGAAHSD17B10PRSS1CTSG
SCHEMBL6981775 1.00 KMT2A (0.43) KMT2AGAAHSD17B10PRSS1CTSG
SCHEMBL7955112 0.89 MAPT (0.40) KMT2AGAAHSD17B10PRSS1CTSG
SCHEMBL7836648 0.89 MAPT (0.40) KMT2AGAAHSD17B10PRSS1CTSG
SCHEMBL6980588 0.88 NPC1 (0.48) KMT2APRSS1CTSGCTRB1CMA1
SCHEMBL6980590 0.88 NPC1 (0.48) KMT2APRSS1CTSGCTRB1CMA1
SCHEMBL2322450 0.85 NPC1 (0.49) KMT2AGAAHSD17B10PRSS1CTSG
SCHEMBL7957323 0.83 CTSK (0.53) CTSLCTSKCTSBCTSS
SCHEMBL6945114 0.81 ADAM17 (0.37) KMT2AGAAHSD17B10PRSS1CTSG
SCHEMBL27471453 0.78 ACE (0.47) MAPTNPSR1POLBMAPK1ATM

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