SCHEMBL8041515

SCHEMBL8041515

CC(C)CN(C(CCSCc1cccnc1)C(=O)NO)S(=O)(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.86

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 17/20 0.86
MMP9 P14780 17/20 0.86
MMP13 P45452 16/20 0.86
MMP2 P08253 16/20 0.86
MMP1 P03956 10/20 0.71
ADAMTS4 O75173 1/20 0.54
ADAM17 P78536 1/20 0.50

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
SCHEMBL7051704 0.93 MMP3 (1.00) MMP3MMP9MMP13MMP2MMP1
SCHEMBL7055373 0.85 MMP3 (1.00) MMP3MMP9MMP13MMP2MMP1
SCHEMBL7054085 0.83 MMP2 (1.00) MMP3MMP9MMP13MMP2MMP1
SCHEMBL7053227 0.83 MMP3 (0.81) MMP3MMP9MMP13MMP2MMP1
SCHEMBL7053893 0.83 MMP3 (0.90) MMP3MMP9MMP13MMP2MMP1
SCHEMBL9247824 0.83 MMP3 (0.90) MMP3MMP9MMP13MMP2MMP1
SCHEMBL8029542 0.82 MMP3 (0.79) MMP3MMP9MMP13MMP2MMP1
SCHEMBL8046605 0.81 MMP3 (0.78) MMP3MMP9MMP13MMP2MMP1
SCHEMBL7050690 0.78 MMP3 (1.00) MMP3MMP9MMP13MMP2MMP1
SCHEMBL7056498 0.76 MMP3 (0.83) MMP3MMP9MMP13MMP2MMP1

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-6063816-A Hydroxamic acid compounds ADIR ET COMPAGNIE (FR) 2000-05-16 US disclosed