SCHEMBL7212082

SCHEMBL7212082

COC(=O)[C@H](S)CCS(=O)(=O)c1ccc(OC)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 6/20 1.00
MMP1 P03956 4/20 1.00
HTT P42858 2/20 0.56
NPSR1 Q6W5P4 1/20 0.56
MMP8 P22894 1/20 0.54
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
POLB P06746 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GRK2 P25098 2/20 0.46
PPARG P37231 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
NR2E3 Q9Y5X4 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
LMNA P02545 1/20 0.46
PKM P14618 1/20 0.45

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
SCHEMBL7212088 1.00 MMP13 (1.00) MMP13MMP1HTTNPSR1MMP8
SCHEMBL7207757 0.84 MMP13 (0.72) MMP13MMP1HTTNPSR1MMP8
SCHEMBL7207765 0.84 MMP13 (0.72) MMP13MMP1HTTNPSR1MMP8
SCHEMBL7212305 0.80 MMP13 (1.00) MMP13MMP1HTTNPSR1MMP8
SCHEMBL8206300 0.80 MMP13 (1.00) MMP13MMP1HTTNPSR1MMP8
SCHEMBL8206303 0.80 MMP13 (1.00) MMP13MMP1HTTNPSR1MMP8
SCHEMBL7212062 0.77 MMP13 (0.71) MMP13MMP1HTTNPSR1MMP8
SCHEMBL8204581 0.77 MMP13 (0.71) MMP13MMP1HTTNPSR1MMP8
SCHEMBL7212058 0.77 MMP13 (0.71) MMP13MMP1HTTNPSR1MMP8
SCHEMBL29296550 0.77 MMP13 (0.76) MMP13MMP1HTTNPSR1MMP8

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-0939628-B1 THIOL SULFONE METALLOPROTEASE INHIBITORS MONSANTO CO (US) 2003-03-05 EP disclosed
US-6013649-A BOND DISORDERS; AUTOIMMUNE DISEASES; ANTITUMOR AGENTS MONSANTO COMPANY (US) 2000-01-11 US disclosed