SCHEMBL5033293

SCHEMBL5033293

CC(C)(C)OC(=O)N[C@H](CCCN1C(=O)c2ccccc2C1=O)C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.46
MMP3 P08254 1/20 0.46
MMP9 P14780 1/20 0.46
MMP13 P45452 1/20 0.46
AKT1 P31749 1/20 0.45
CTSK P43235 5/20 0.45
NPC1 O15118 1/20 0.44
HDAC1 Q13547 6/20 0.42
HDAC7 Q8WUI4 5/20 0.42
IDO1 P14902 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
CTSS P25774 1/20 0.42
HDAC4 P56524 3/20 0.41
HDAC8 Q9BY41 3/20 0.41
HDAC3 O15379 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41

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
SCHEMBL2640680 0.91 ALDH1A1 (0.51) MMP2MMP3MMP9MMP13AKT1
SCHEMBL31649378 0.91 ALDH1A1 (0.51) MMP2MMP3MMP9MMP13AKT1
SCHEMBL2640679 0.91 ALDH1A1 (0.51) MMP2MMP3MMP9MMP13AKT1
SCHEMBL31649040 0.87 ALDH1A1 (0.52) MMP2MMP3MMP9MMP13AKT1
SCHEMBL25322940 0.86 NPC1 (0.46) MMP2MMP3MMP9MMP13AKT1
SCHEMBL25322938 0.86 NPC1 (0.46) MMP2MMP3MMP9MMP13AKT1
SCHEMBL30550754 0.86 NPC1 (0.46) MMP2MMP3MMP9MMP13AKT1
SCHEMBL6388649 0.85 AKT1 (0.46) AKT1CTSKIDO1ALDH1A1CTSS
SCHEMBL34475725 0.84 NPC1 (0.44) MMP2MMP3MMP9MMP13AKT1
SCHEMBL31649054 0.83 AKT1 (0.49) MMP2MMP3MMP9MMP13AKT1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1918278-A1 Sulfonylamino derivatives which inhibit matrix-degrading metalloproteinases Novartis AG (CH) 2008-05-07 EP disclosed
US-6410580-B1 ANTIINFLAMMATORY AGENTS, RHEUMATIC DISEASES NOVARTIS AG (CH) 2002-06-25 US disclosed
US-6277987-B1 FOR INHIBITING MATRIX-DEGRADING METALLOPROTEINASES IN MAMMALS NOVARTIS AG (CH) 2001-08-21 US disclosed