SCHEMBL7345103

SCHEMBL7345103

O=C(O)C(CCCc1cccnc1)NS(=O)(=O)c1ccc2oc3ccccc3c2c1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 3/20 0.52
MMP13 P45452 3/20 0.52
TBXAS1 P24557 13/20 0.46
MMP7 P09237 1/20 0.44
GLA P06280 1/20 0.43
TBXA2R P21731 1/20 0.42
NAMPT P43490 1/20 0.42

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
SCHEMBL7351650 0.94 MMP12 (0.54) MMP12MMP13TBXAS1MMP7GLA
SCHEMBL7351035 0.91 MMP13 (0.60) MMP12MMP13MMP7
SCHEMBL7352707 0.88 MMP13 (0.59) MMP12MMP13MMP7
SCHEMBL7346019 0.87 MMP12 (0.47) MMP12MMP13TBXAS1MMP7GLA
SCHEMBL7349914 0.87 MMP13 (0.58) MMP12MMP13MMP7
SCHEMBL4425589 0.84 MMP12 (0.62) MMP12MMP13MMP7
SCHEMBL4425599 0.84 MMP12 (0.62) MMP12MMP13MMP7
SCHEMBL7347760 0.84 MMP12 (0.58) MMP12MMP13MMP7
SCHEMBL7351949 0.84 MMP13 (0.55) MMP12MMP13MMP7
SCHEMBL7343982 0.82 MMP12 (0.40) MMP12MMP13TBXAS1NAMPT

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
EP-0929542-A1 COMPOUNDS FOR AND A METHOD OF INHIBITING MATRIX METALLOPROTEINASES WARNER-LAMBERT COMPANY (US) 1999-07-21 EP claimed
WO-1998009957-A1 COMPOUNDS FOR AND A METHOD OF INHIBITING MATRIX METALLOPROTEINASES WARNER-LAMBERT COMPANY (US) 1998-03-12 WO claimed
EP-0929542-A1 COMPOUNDS FOR AND A METHOD OF INHIBITING MATRIX METALLOPROTEINASES WARNER-LAMBERT COMPANY (US) 1999-07-21 EP disclosed
WO-1998009957-A1 COMPOUNDS FOR AND A METHOD OF INHIBITING MATRIX METALLOPROTEINASES WARNER-LAMBERT COMPANY (US) 1998-03-12 WO disclosed