SCHEMBL7449471

SCHEMBL7449471

O=C(Nc1ccc(S(=O)(=O)NC(CC#CCOc2ccccc2)C(=O)O)cc1)c1ccc(OCC(F)(F)F)nc1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 12/20 0.69
MMP13 P45452 10/20 0.69
MMP3 P08254 9/20 0.69
MMP9 P14780 3/20 0.46
EPHX2 P34913 1/20 0.44
CXCR1 P25024 1/20 0.43
CXCR2 P25025 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
SCHEMBL7456050 0.93 MMP2 (0.63) MMP2MMP13MMP3MMP9EPHX2
SCHEMBL7899829 0.91 MMP2 (0.74) MMP2MMP13MMP3MMP9
SCHEMBL7448202 0.84 MMP2 (0.67) MMP2MMP13MMP3MMP9
SCHEMBL7446562 0.84 MMP13 (0.74) MMP2MMP13MMP3MMP9
SCHEMBL7454871 0.81 MMP2 (1.00) MMP2MMP13MMP3MMP9
SCHEMBL7455165 0.77 MMP13 (0.69) MMP2MMP13MMP3MMP9
SCHEMBL7454899 0.75 MMP2 (0.88) MMP2MMP13MMP3MMP9
SCHEMBL19074875 0.75 L3MBTL1 (0.66) EPHX2CXCR1CXCR2
SCHEMBL7450983 0.72 MMP2 (1.00) MMP2MMP13MMP3MMP9
SCHEMBL7451531 0.70 MMP13 (0.80) MMP2MMP13MMP3MMP9

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-6197770-B1 ENZYME INHIBITORS; ANTIARTHRITIC AGENTS; BONE DISORDERS THE PROCTER & GAMBLE CO. 2001-03-06 US claimed
EP-1165501-A1 ALKENYL- AND ALKYNYL-CONTAINING METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2002-01-02 EP disclosed
US-6197770-B1 ENZYME INHIBITORS; ANTIARTHRITIC AGENTS; BONE DISORDERS THE PROCTER & GAMBLE CO. 2001-03-06 US disclosed
WO-2000051975-A1 ALKENYL- AND ALKYNYL-CONTAINING METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2000-09-08 WO disclosed