SCHEMBL749562

SCHEMBL749562

CC(C(N)=O)N(C(=O)C1CCCN1C(=O)OC(C)(C)C)c1ccc(Br)cc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 6/20 0.45
USP30 Q70CQ3 10/20 0.44
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL750224 0.87 KMT2A (0.47) UCHL1USP30NPC1LMNANPSR1
SCHEMBL12098650 0.83 UCHL1 (0.52) UCHL1USP30NPC1LMNANPSR1
SCHEMBL3835668 0.82 USP30 (0.55) UCHL1USP30NPC1LMNANPSR1
SCHEMBL3830118 0.81 UCHL1 (0.49) UCHL1USP30NPC1LMNANPSR1
SCHEMBL3833756 0.81 UCHL1 (0.49) UCHL1USP30NPC1LMNANPSR1
SCHEMBL3835396 0.79 NPC1 (0.48) UCHL1USP30NPC1LMNANPSR1
SCHEMBL571212 0.78 UCHL1 (0.46) UCHL1USP30NPC1LMNANPSR1
SCHEMBL2072192 0.76 USP30 (0.54) UCHL1USP30NPC1LMNANPSR1
SCHEMBL3448503 0.75 UCHL1 (0.43) UCHL1USP30NPC1LMNANPSR1
SCHEMBL14037470 0.75 NPC1 (0.58) UCHL1USP30NPC1LMNANPSR1

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-2430014-A1 ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2012-03-21 EP disclosed
WO-2010132601-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-11-18 WO disclosed