SCHEMBL7749707

SCHEMBL7749707

CC(C)(CS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(OCc1cccnc1)C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 10/20 0.47
MMP2 P08253 7/20 0.47
MMP1 P03956 7/20 0.47
ADAMTS4 O75173 1/20 0.45
MMP9 P14780 2/20 0.43
GRM2 Q14416 1/20 0.42
NAMPT P43490 3/20 0.42
PSMB5 P28074 1/20 0.41
FFAR1 O14842 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LCK P06239 1/20 0.40

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
Hydrochloric Acid SCHEMBL7749551 0.99 MMP13 (0.46) MMP13MMP2MMP1ADAMTS4MMP9
SCHEMBL7748779 0.89 MMP13 (0.49) MMP13MMP2MMP1ADAMTS4FFAR1
SCHEMBL7686385 0.89 MMP13 (0.50) MMP13MMP2MMP1ADAMTS4MMP9
SCHEMBL7686382 0.89 MMP13 (0.50) MMP13MMP2MMP1ADAMTS4MMP9
Hydrochloric Acid SCHEMBL7748736 0.89 MMP13 (0.48) MMP13MMP2MMP1ADAMTS4FFAR1
Hydrochloric Acid SCHEMBL7681488 0.88 MMP13 (0.49) MMP13MMP2MMP1ADAMTS4MMP9
Hydrochloric Acid SCHEMBL7681477 0.88 MMP13 (0.49) MMP13MMP2MMP1ADAMTS4MMP9
Hydrochloric Acid SCHEMBL7748775 0.83 MMP13 (0.48) MMP13MMP2MMP1ADAMTS4ALDH1A1
SCHEMBL7683556 0.78 MMP13 (0.53) MMP13MMP2MMP1MMP9
SCHEMBL7683552 0.78 MMP13 (0.53) MMP13MMP2MMP1MMP9

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
EP-0983258-A4 N-HYDROXY 4-SULFONYL BUTANAMIDE COMPOUNDS MONSANTO CO (US) 2001-01-17 EP disclosed
EP-0983258-A1 N-HYDROXY 4-SULFONYL BUTANAMIDE COMPOUNDS MONSANTO COMPANY (US) 2000-03-08 EP disclosed
WO-1998039316-A1 N-HYDROXY 4-SULFONYL BUTANAMIDE COMPOUNDS MONSANTO COMPANY (US) 1998-09-11 WO disclosed