SCHEMBL6690842

SCHEMBL6690842

O=S(=O)(N1CCCCC1)N1CCC(Oc2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 4/20 0.58
PROKR1 Q8TCW9 4/20 0.58
MMP13 P45452 4/20 0.54
MMP2 P08253 2/20 0.54
MMP14 P50281 2/20 0.53
MMP12 P39900 1/20 0.53
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
EPHX2 P34913 5/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
FAAH O00519 1/20 0.45
KCNH2 Q12809 1/20 0.43
MMP9 P14780 1/20 0.42
LMNA P02545 1/20 0.41

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
SCHEMBL6097984 0.85 MMP13 (0.55) FPR2PROKR1MMP13MMP2MMP14
SCHEMBL6098585 0.83 FPR2 (0.64) FPR2PROKR1MMP13MMP2MMP14
SCHEMBL6692336 0.78 MMP13 (0.51) FPR2PROKR1MMP13MMP2MMP14
Hydrochloric Acid SCHEMBL6395011 0.77 FPR2 (0.54) FPR2PROKR1MMP13MMP2MMP14
SCHEMBL6094119 0.77 MMP13 (0.57) FPR2PROKR1MMP13MMP2MMP14
SCHEMBL18960369 0.76 EPHX2 (0.48) FPR2PROKR1MMP13MMP2EPHX2
SCHEMBL7657873 0.75 EPHX2 (0.54) FPR2PROKR1MMP13MMP2EPHX2
SCHEMBL6397014 0.75 MMP13 (0.53) FPR2PROKR1MMP13MMP2MMP14
SCHEMBL2056114 0.75 HRH3 (0.58) FPR2PROKR1MMP13MMP2MMP14
SCHEMBL6095121 0.74 MMP13 (0.48) FPR2PROKR1MMP13MMP2MMP14

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