SCHEMBL6201660

SCHEMBL6201660

O=C(N(O)C1CC1)C1(S(=O)(=O)c2ccc(-c3ccc(CCC(F)(F)C(F)(F)F)cn3)cc2)CCNCC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 5/20 0.37
MMP3 P08254 5/20 0.37
MMP13 P45452 4/20 0.37
MMP2 P08253 3/20 0.37
MMP8 P22894 2/20 0.37
MMP14 P50281 2/20 0.37
MMP1 P03956 2/20 0.35
GCK P35557 1/20 0.34
GCKR Q14397 1/20 0.34
MLNR O43193 3/20 0.34
CYP2D6 P10635 1/20 0.34
MMP10 P09238 3/20 0.34
KCNH2 Q12809 1/20 0.34
GPR119 Q8TDV5 1/20 0.33
ADAM17 P78536 2/20 0.33
ITGB1 P05556 1/20 0.32
ITGA4 P13612 1/20 0.32
ITGB7 P26010 1/20 0.32
DGAT1 O75907 1/20 0.31

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
SCHEMBL6202138 0.90 MMP9 (0.37) MMP9MMP3MMP13MMP2MMP8
Hydrochloric Acid SCHEMBL6197259 0.88 MMP9 (0.35) MMP9MMP3MMP13MMP2MMP8
SCHEMBL6201542 0.87 MMP9 (0.37) MMP9MMP3MMP13MMP2MMP8
SCHEMBL6201196 0.84 MMP9 (0.35) MMP9MMP3MMP13MMP2MMP8
SCHEMBL5908493 0.81 MMP13 (0.38) MMP9MMP3MMP13MMP2MMP8
Hydrochloric Acid SCHEMBL6221289 0.78 MMP3 (0.41) MMP9MMP3MMP13MMP2MMP8
SCHEMBL5908780 0.78 MMP2 (0.42) MMP9MMP3MMP13MMP2MMP8
SCHEMBL6734114 0.78 SMN1; SMN2 (0.40) MMP9MMP3MMP13MMP2MMP8
SCHEMBL6203133 0.77 SMN1; SMN2 (0.38) MMP9MMP3MMP13MMP2MMP8
SCHEMBL5908690 0.75 MMP13 (0.54) MMP9MMP3MMP13MMP2MMP8

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-1515951-A1 ARYLSULFONYLHYDROXAMIC ACID AND AMIDE DERIVATIVES AND THEIR USE AS PROTEASE INHIBITORS Pharmacia Corporation (US) 2005-03-23 EP disclosed
WO-2004000811-A1 ARYLSULFONYLHYDROXAMIC ACID AND AMIDE DERIVATIVES AND THEIR USE AS PROTEASE INHIBITORS PHARMACIA CORPORATION (US) 2003-12-31 WO disclosed