SCHEMBL6692336

SCHEMBL6692336

O=C(O)N1CCCCC1S(=O)(=O)N1CCC(Oc2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 3/20 0.51
MMP2 P08253 3/20 0.51
FPR2 P25090 2/20 0.48
PROKR1 Q8TCW9 2/20 0.48
EPHX2 P34913 8/20 0.46
MMP12 P39900 1/20 0.46
MMP14 P50281 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
FAAH O00519 2/20 0.45
MAPT P10636 2/20 0.45
ALDH1A1 P00352 1/20 0.45
MMP9 P14780 1/20 0.43
LIPE Q05469 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL6397014 0.79 MMP13 (0.53) MMP13MMP2FPR2PROKR1EPHX2
SCHEMBL6690842 0.78 FPR2 (0.58) MMP13MMP2FPR2PROKR1EPHX2
SCHEMBL6094119 0.76 MMP13 (0.57) MMP13MMP2FPR2PROKR1EPHX2
SCHEMBL6097984 0.76 MMP13 (0.55) MMP13MMP2FPR2PROKR1EPHX2
SCHEMBL6097817 0.76 EPHX2 (0.56) MMP13MMP2FPR2PROKR1EPHX2
SCHEMBL6095113 0.76 MMP13 (0.51) MMP13MMP2FPR2PROKR1EPHX2
SCHEMBL6098585 0.75 FPR2 (0.64) MMP13MMP2FPR2PROKR1EPHX2
Hydrochloric Acid SCHEMBL6395011 0.71 FPR2 (0.54) MMP13MMP2FPR2PROKR1EPHX2
SCHEMBL6095581 0.71 MMP13 (0.60) MMP13MMP2FPR2PROKR1EPHX2
SCHEMBL18960369 0.71 EPHX2 (0.48) MMP13MMP2FPR2PROKR1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004091549-A2 PROCESS FOR MAKING ALPHA-SUBSTITUTED HYDROXAMIC ACIDS PHARMACIA CORPORATION (US) 2004-10-28 WO disclosed