SCHEMBL7748779

SCHEMBL7748779

CC(C)(CS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(OCc1ccncc1)C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 15/20 0.49
MMP2 P08253 11/20 0.49
MMP1 P03956 7/20 0.49
ADAMTS4 O75173 2/20 0.41
NPY5R Q15761 1/20 0.41
FFAR1 O14842 1/20 0.41
TARS1 P26639 1/20 0.40
PPARG P37231 1/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
HTT P42858 1/20 0.39
MAPK14 Q16539 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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 SCHEMBL7748736 0.99 MMP13 (0.48) MMP13MMP2MMP1ADAMTS4NPY5R
SCHEMBL7749707 0.89 MMP13 (0.47) MMP13MMP2MMP1ADAMTS4FFAR1
Hydrochloric Acid SCHEMBL7749551 0.89 MMP13 (0.46) MMP13MMP2MMP1ADAMTS4FFAR1
SCHEMBL7683556 0.88 MMP13 (0.53) MMP13MMP2MMP1
SCHEMBL7683552 0.88 MMP13 (0.53) MMP13MMP2MMP1
Hydrochloric Acid SCHEMBL7699970 0.87 MMP13 (0.52) MMP13MMP2MMP1
Hydrochloric Acid SCHEMBL7748775 0.85 MMP13 (0.48) MMP13MMP2MMP1ADAMTS4TARS1
SCHEMBL7686382 0.78 MMP13 (0.50) MMP13MMP2MMP1ADAMTS4
SCHEMBL7686385 0.78 MMP13 (0.50) MMP13MMP2MMP1ADAMTS4
Hydrochloric Acid SCHEMBL7681477 0.78 MMP13 (0.49) MMP13MMP2MMP1ADAMTS4

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