SCHEMBL8206300

SCHEMBL8206300

COc1ccc(S(=O)(=O)CC[C@@H](C)S)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 10/20 1.00
MMP1 P03956 6/20 1.00
MMP8 P22894 1/20 0.61
HTT P42858 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MMP2 P08253 1/20 0.49
MMP3 P08254 1/20 0.49
MMP9 P14780 1/20 0.49
MMP14 P50281 1/20 0.49
PKM P14618 1/20 0.48

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
SCHEMBL8206303 1.00 MMP13 (1.00) MMP13MMP1MMP8HTTNPSR1
SCHEMBL7212305 1.00 MMP13 (1.00) MMP13MMP1MMP8HTTNPSR1
SCHEMBL29296550 0.86 MMP13 (0.76) MMP13MMP1MMP8HTTNPSR1
SCHEMBL7212058 0.83 MMP13 (0.71) MMP13MMP1MMP8HTTNPSR1
SCHEMBL8204581 0.83 MMP13 (0.71) MMP13MMP1MMP8HTTNPSR1
SCHEMBL7212062 0.83 MMP13 (0.71) MMP13MMP1MMP8HTTNPSR1
SCHEMBL7409909 0.83 MMP13 (0.71) MMP13MMP1MMP8HTTNPSR1
SCHEMBL7212121 0.83 MMP13 (0.71) MMP13MMP1MMP8HTTNPSR1
SCHEMBL7212119 0.83 MMP13 (0.71) MMP13MMP1MMP8HTTNPSR1
SCHEMBL7212082 0.80 MMP13 (1.00) MMP13MMP1MMP8HTTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6013649-A BOND DISORDERS; AUTOIMMUNE DISEASES; ANTITUMOR AGENTS MONSANTO COMPANY (US) 2000-01-11 US disclosed