SCHEMBL7533987

SCHEMBL7533987

CCCC(F)OC(=O)[C@@H](CCO)N(C(=O)OC(F)CCC)S(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
ADAMTS5 Q9UNA0 2/20 0.41
PSEN1 P49768 10/20 0.37
PSEN2 P49810 10/20 0.37
APH1B Q8WW43 10/20 0.37
NCSTN Q92542 10/20 0.37
APH1A Q96BI3 10/20 0.37
PSENEN Q9NZ42 10/20 0.37
RORC P51449 1/20 0.36
APP P05067 1/20 0.35
PPARG P37231 2/20 0.35
PPARA Q07869 2/20 0.35
DAGLA Q9Y4D2 2/20 0.35

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
SCHEMBL7424410 0.91 MMP2 (0.42) MMP2MMP9ADAMTS5PSEN1PSEN2
SCHEMBL5033274 0.78 ADAMTS5 (0.44) MMP2MMP9ADAMTS5PSEN1PSEN2
SCHEMBL7674822 0.69 ADAMTS5 (0.49) MMP2MMP9ADAMTS5PSEN1PSEN2
SCHEMBL7674815 0.69 ADAMTS5 (0.49) MMP2MMP9ADAMTS5PSEN1PSEN2
SCHEMBL5033291 0.69 ADAMTS5 (0.43) MMP2MMP9ADAMTS5PSEN1PSEN2
SCHEMBL10281161 0.61 ALDH1A1 (0.55) ADAMTS5PSEN1PSEN2APH1BNCSTN
SCHEMBL5033278 0.61 ADAMTS5 (0.42) MMP2MMP9ADAMTS5RORC
SCHEMBL876803 0.60 RORC (0.36) MMP2MMP9ADAMTS5PSEN1PSEN2
SCHEMBL5033295 0.60 ADAMTS5 (0.43) MMP2MMP9ADAMTS5RORC
SCHEMBL5670933 0.60 PSEN1 (0.46) MMP2MMP9PSEN1PSEN2APH1B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1053226-A1 SULFONYLAMINO DERIVATIVES WHICH INHIBIT MATRIX-DEGRADING METALLOPROTEINASES Novartis AG (CH) 2000-11-22 EP disclosed
WO-1999042443-A1 SULFONYLAMINO DERIVATIVES WHICH INHIBIT MATRIX-DEGRADING METALLOPROTEINASES NOVARTIS AG (CH) 1999-08-26 WO disclosed