SCHEMBL7181809

SCHEMBL7181809

CC(=O)N[C@@H](CS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)O

nearest known ligand 0.79

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 16/20 0.79
MMP1 P03956 4/20 0.57
MMP2 P08253 4/20 0.50
ALDH1A1 P00352 1/20 0.50
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MMP9 P14780 1/20 0.50
MMP3 P08254 1/20 0.49
ACACB O00763 1/20 0.49
ACACA Q13085 1/20 0.49

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 1.00 MMP13 (0.79) MMP13MMP1MMP2ALDH1A1POLB
SCHEMBL7182155 0.88 MMP13 (1.00) MMP13MMP1MMP2MMP9MMP3
SCHEMBL5125714 0.87 MMP13 (0.59) MMP13ALDH1A1POLBSMN1; SMN2
SCHEMBL5125706 0.87 MMP13 (0.59) MMP13ALDH1A1POLBSMN1; SMN2
SCHEMBL7869955 0.86 MMP13 (0.60) MMP13MMP1MMP2ALDH1A1MMP9
SCHEMBL7180333 0.83 MMP13 (0.82) MMP13MMP1
SCHEMBL7292055 0.83 MMP13 (0.56) MMP13ALDH1A1SMN1; SMN2
SCHEMBL7183683 0.81 MMP13 (0.79) MMP13MMP1MMP2ALDH1A1MMP3
SCHEMBL7183687 0.81 MMP13 (0.79) MMP13MMP1MMP2ALDH1A1MMP3
SCHEMBL7187265 0.80 MMP13 (0.52) MMP13MMP1MMP2ALDH1A1POLB

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 3 patents. 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
EP-1178959-A1 ALPHA-AMINO-BETA-SULFONYL HYDROXAMIC ACID COMPOUNDS G.D. SEARLE & CO. (US) 2002-02-13 EP disclosed
WO-2000071514-A1 α-AMINO-β-SULFONYL HYDROXAMIC ACID COMPOUNDS G.D. SEARLE & CO. (US) 2000-11-30 WO disclosed