SCHEMBL5031613

SCHEMBL5031613

CC(C)(C)OC(=O)N[C@](CCC(=O)O)(C(=O)O)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAALAD2 Q9Y3Q0 1/20 0.44
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
CA1 P00915 2/20 0.35
CA7 P43166 2/20 0.35
CA12 O43570 2/20 0.35
CA14 Q9ULX7 2/20 0.35
APLNR P35414 1/20 0.35
CTSK P43235 8/20 0.35
CTSS P25774 6/20 0.35
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 1/20 0.34
THRB P10828 1/20 0.34
ESR1 P03372 1/20 0.34
CYP3A4 P08684 1/20 0.34
ESR2 Q92731 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CA2 P00918 2/20 0.33
CTSL P07711 1/20 0.33

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
SCHEMBL1486212 1.00 NAALAD2 (0.44) NAALAD2MEN1KMT2AGAACA1
SCHEMBL11569761 0.87 TDP1 (0.37) NAALAD2MEN1KMT2AGAAALDH1A1
SCHEMBL1200142 0.87 CA1 (0.35) NAALAD2MEN1KMT2AGAACA1
SCHEMBL3785294 0.84 MEN1 (0.40) NAALAD2MEN1KMT2AGAACA1
SCHEMBL8915151 0.84 MEN1 (0.40) NAALAD2MEN1KMT2AGAACA1
SCHEMBL6793586 0.83 TDP1 (0.50) NAALAD2MEN1KMT2AGAACA1
SCHEMBL6791470 0.82 MEN1 (0.36) NAALAD2MEN1KMT2AGAACA1
Hydrochloric Acid SCHEMBL1846715 0.81 MEN1 (0.36) MEN1KMT2AGAACA1CA7
SCHEMBL8971824 0.81 NAALAD2 (0.65) NAALAD2MEN1KMT2AGAACA1
SCHEMBL3031112 0.81 NAALAD2 (0.65) NAALAD2MEN1KMT2AGAACA1

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