SCHEMBL5894483

SCHEMBL5894483

O=C(NO)C1CNCCN1S(=O)(=O)CCCCCOCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 9/20 0.52
MMP13 P45452 9/20 0.52
MMP1 P03956 7/20 0.52
MMP12 P39900 5/20 0.52
MMP7 P09237 3/20 0.52
MMP9 P14780 5/20 0.46
MMP3 P08254 4/20 0.46
FKBP1A P62942 4/20 0.44
ADAM17 P78536 5/20 0.43
MMP2 P08253 2/20 0.42
MMP10 P09238 1/20 0.41
MMP14 P50281 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
Hydroxyamine SCHEMBL6529639 0.88 FKBP1A (0.41) MMP8MMP13MMP1MMP12MMP7
Hydroxyamine SCHEMBL5894541 0.76 FKBP1A (0.52) MMP8MMP13MMP1MMP12MMP7
SCHEMBL6667249 0.69 MMP13 (0.51) MMP8MMP13MMP1MMP12MMP7
Hydrochloric Acid SCHEMBL28277924 0.65 MGLL (0.47)
SCHEMBL6598977 0.64 MGLL (0.49)
SCHEMBL27672018 0.64 SLC6A2 (0.48) MMP8MMP13MMP1MMP12MMP7
SCHEMBL1873557 0.64 SLC6A2 (0.42)
SCHEMBL1873560 0.64 SLC6A2 (0.42)
SCHEMBL22070850 0.63 MGLL (0.48)
SCHEMBL22071071 0.63 CA2 (0.49)

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
US-7030242-B2 Selective inhibition of aggrecanase in osteoarthritis treatment PFIZER INC (US) 2006-04-18 US disclosed