SCHEMBL7182155

SCHEMBL7182155

CC(=O)N[C@@H](CS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 19/20 1.00
MMP1 P03956 5/20 0.66
MMP2 P08253 4/20 0.53
MMP3 P08254 1/20 0.53
MMP7 P09237 1/20 0.53
MMP9 P14780 1/20 0.53

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
SCHEMBL7181803 0.88 MMP13 (0.79) MMP13MMP1MMP2MMP3MMP9
SCHEMBL7181809 0.88 MMP13 (0.79) MMP13MMP1MMP2MMP3MMP9
SCHEMBL7301940 0.86 MMP13 (0.76) MMP13MMP1MMP2MMP3MMP7
SCHEMBL7181926 0.86 MMP13 (0.75) MMP13MMP1MMP2MMP7MMP9
Hydrochloric Acid SCHEMBL7302619 0.85 MMP13 (0.74) MMP13MMP1MMP2MMP3MMP7
SCHEMBL7308056 0.84 MMP13 (1.00) MMP13MMP1
SCHEMBL7308069 0.84 MMP13 (1.00) MMP13MMP1
SCHEMBL7302708 0.83 MMP13 (0.73) MMP13MMP1MMP2MMP3MMP7
SCHEMBL7186097 0.82 MMP13 (1.00) MMP13MMP1MMP2MMP3MMP9
Hydrochloric Acid SCHEMBL7307675 0.82 MMP13 (0.71) MMP13MMP1MMP2MMP3MMP7

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-6583299-B1 Matrix metalloprotease inhibitors; nonsuppression of tumor necrosis factor production G.D. SEARLE & CO. 2003-06-24 US disclosed