SCHEMBL7683909

SCHEMBL7683909

CC(C)(CS(=O)(=O)c1ccccc1Oc1ccccc1)C(O)C(=O)NO

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 14/20 0.46
MMP2 P08253 8/20 0.46
MMP1 P03956 6/20 0.46
CASP1 P29466 3/20 0.44
MMP9 P14780 3/20 0.43
MMP3 P08254 2/20 0.43
MMP7 P09237 1/20 0.43
MMP8 P22894 1/20 0.41
MMP14 P50281 1/20 0.41
MMP16 P51512 1/20 0.41
ADAM17 P78536 1/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL7683898 1.00 MMP13 (0.46) MMP13MMP2MMP1CASP1MMP9
SCHEMBL7690204 0.84 MMP13 (0.65) MMP13MMP2MMP1MMP9MMP3
SCHEMBL7683904 0.84 MMP13 (0.65) MMP13MMP2MMP1MMP9MMP3
SCHEMBL7690202 0.84 MMP13 (0.65) MMP13MMP2MMP1MMP9MMP3
SCHEMBL18184670 0.71 RIPK1 (0.47) CASP1POLBLMNAL3MBTL1
Hydrochloric Acid SCHEMBL7688009 0.71 MMP13 (0.65) MMP13MMP2MMP1MMP9MMP3
Hydrochloric Acid SCHEMBL7688004 0.71 MMP13 (0.65) MMP13MMP2MMP1MMP9MMP3
SCHEMBL12994829 0.68 CASP1 (0.60) CASP1POLB
SCHEMBL20998613 0.67 CASP1 (0.58) MMP13MMP2MMP1CASP1MMP9
SCHEMBL20364686 0.67 CASP1 (0.48) CASP1POLBLMNAL3MBTL1

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-6476027-B1 N-hydroxy 4-sulfonyl butanamide compounds MONSANTO COMPANY 2002-11-05 US disclosed