SCHEMBL7685949

SCHEMBL7685949

CC(C)(CS(=O)(=O)c1ccc(Oc2ccccc2)cc1)[C@H](NC(=O)CN1CCOCC1)C(=O)NO

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 14/20 0.56
MMP2 P08253 8/20 0.56
ALDH1A1 P00352 2/20 0.51
HPGD P15428 2/20 0.51
MMP1 P03956 6/20 0.48
ALOX15 P16050 1/20 0.44
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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 SCHEMBL7685446 0.99 MMP13 (0.56) MMP13MMP2ALDH1A1HPGDMMP1
SCHEMBL7690202 0.74 MMP13 (0.65) MMP13MMP2MMP1
SCHEMBL7690204 0.74 MMP13 (0.65) MMP13MMP2MMP1
SCHEMBL7683904 0.74 MMP13 (0.65) MMP13MMP2MMP1
SCHEMBL7108169 0.74 MMP2 (0.55) MMP13MMP2ALDH1A1HPGDMMP1
Hydrochloric Acid SCHEMBL7688009 0.73 MMP13 (0.65) MMP13MMP2MMP1
Hydrochloric Acid SCHEMBL7688004 0.73 MMP13 (0.65) MMP13MMP2MMP1
SCHEMBL3875831 0.70 MMP13 (0.54) MMP13MMP2ALDH1A1HPGDMMP1
SCHEMBL3878927 0.69 MMP13 (0.53) MMP13MMP2ALDH1A1HPGDMMP1
SCHEMBL7683552 0.68 MMP13 (0.53) MMP13MMP2MMP1

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 4 patents. 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
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