SCHEMBL7226591

SCHEMBL7226591

O=C(O)C(CCN1C(=O)c2ccccc2C1=O)CS(=O)(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 20/20 0.60
MMP9 P14780 20/20 0.60
MMP3 P08254 4/20 0.52
MMP1 P03956 4/20 0.52
MMP13 P45452 3/20 0.52
MMP14 P50281 2/20 0.47
ADAM17 P78536 2/20 0.47
MMP8 P22894 1/20 0.46

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
SCHEMBL7230600 0.89 MMP2 (0.65) MMP2MMP9MMP3MMP1MMP13
SCHEMBL7223370 0.88 MMP2 (0.56) MMP2MMP9MMP3MMP1MMP13
SCHEMBL7077886 0.86 MMP2 (0.66) MMP2MMP9MMP3MMP1MMP13
SCHEMBL6578094 0.81 MMP2 (0.65) MMP2MMP9MMP3MMP1MMP13
SCHEMBL7077896 0.80 MMP2 (0.60) MMP2MMP9MMP3MMP1MMP13
SCHEMBL7224275 0.77 MMP2 (0.54) MMP2MMP9MMP3MMP1MMP13
SCHEMBL7229104 0.77 MMP2 (0.79) MMP2MMP9MMP3MMP1MMP13
SCHEMBL7231013 0.75 MMP2 (0.51) MMP2MMP9MMP3MMP1MMP13
SCHEMBL8741817 0.74 PPARG (0.51) MMP2MMP9MMP3MMP1MMP13
SCHEMBL7079889 0.74 MMP2 (0.49) MMP2MMP9MMP3MMP1MMP13

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-6605604-B1 Tumour necrosis factor alpha release inhibitors; efficiency treatment of cancers, rheumatic diseases, arthritis, ulcers, atherosclerosis, asthma LES LABORATOIRES SERVIER (FR) 2003-08-12 US disclosed