SCHEMBL5031624

SCHEMBL5031624

CC(C)(C)OC(=O)CCCC(I)NC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CYP2D6 P10635 1/20 0.44
CTSK P43235 11/20 0.43
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
CTSS P25774 3/20 0.39
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL7430206 0.87 MEN1 (0.44) CA1CA2CA7CYP2D6CTSK
SCHEMBL9752888 0.87 MEN1 (0.44) CA1CA2CA7CYP2D6CTSK
SCHEMBL27507325 0.87 MEN1 (0.44) CA1CA2CA7CYP2D6CTSK
SCHEMBL10772880 0.83 CTSK (0.56) CTSKCTSS
SCHEMBL7221421 0.83 CTSK (0.56) CTSKCTSS
SCHEMBL5033253 0.82 CYP2D6 (0.49) CA1CA2CA7CYP2D6CTSK
SCHEMBL9753575 0.80 CA1 (0.44) CA1CA2CA7CYP2D6CTSK
SCHEMBL17600320 0.79 CTSK (0.52) CA1CA2CA7CYP2D6CTSK
SCHEMBL1820405 0.79 CTSK (0.52) CA1CA2CA7CYP2D6CTSK
SCHEMBL17600321 0.79 CTSK (0.52) CA1CA2CA7CYP2D6CTSK

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