SCHEMBL5031610

SCHEMBL5031610

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.44
MMP9 P14780 2/20 0.44
MMP3 P08254 1/20 0.44
MMP13 P45452 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ELANE P08246 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HDAC1 Q13547 4/20 0.43
HDAC7 Q8WUI4 4/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
NPC1 O15118 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42

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
SCHEMBL18918957 0.87 MMP2 (0.46) MMP2MMP9MMP3MMP13KMT2A
SCHEMBL442293 0.85 MMP2 (0.44) MMP2MMP9MMP3MMP13KMT2A
SCHEMBL6738589 0.84 ELANE (0.47) MMP2MMP9MMP3MMP13KMT2A
SCHEMBL6389343 0.84 ELANE (0.47) MMP2MMP9MMP3MMP13KMT2A
Hydrochloric Acid SCHEMBL6971175 0.83 ELANE (0.49) MMP2MMP9MMP3MMP13KMT2A
Hydrochloric Acid SCHEMBL6971183 0.83 ELANE (0.49) MMP2MMP9MMP3MMP13KMT2A
SCHEMBL29166106 0.82 HDAC7 (0.53) KMT2AMEN1HSD17B10TDP1SMN1; SMN2
SCHEMBL6291909 0.81 PKM (0.47) MMP2MMP9HSD17B10TDP1SMN1; SMN2
SCHEMBL9322023 0.81 HDAC1 (0.47) KMT2AMEN1HSD17B10TDP1SMN1; SMN2
SCHEMBL11083101 0.81 ALDH1A1 (0.48) MMP2MMP9MMP3MMP13KMT2A

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