SCHEMBL8318611

SCHEMBL8318611

O=C(NO)C1CCCCC1S(=O)(=O)CCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 6/20 0.54
MMP13 P45452 6/20 0.54
MMP12 P39900 4/20 0.54
MMP1 P03956 4/20 0.54
MMP7 P09237 2/20 0.54
MMP9 P14780 5/20 0.50
MMP2 P08253 3/20 0.50
TAAR1 Q96RJ0 2/20 0.48
MMP3 P08254 1/20 0.46
CTSK P43235 1/20 0.44
FKBP1A P62942 2/20 0.44

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
SCHEMBL6268870 1.00 MMP8 (0.54) MMP8MMP13MMP12MMP1MMP7
SCHEMBL6266747 1.00 MMP8 (0.54) MMP8MMP13MMP12MMP1MMP7
SCHEMBL6268860 1.00 MMP8 (0.54) MMP8MMP13MMP12MMP1MMP7
SCHEMBL6266744 1.00 MMP8 (0.54) MMP8MMP13MMP12MMP1MMP7
SCHEMBL6271220 0.93 MMP13 (0.57) MMP8MMP13MMP12MMP1MMP7
SCHEMBL6802716 0.93 MMP13 (0.57) MMP8MMP13MMP12MMP1MMP7
SCHEMBL27539860 0.92 MMP13 (0.49) MMP8MMP13MMP12MMP1MMP7
SCHEMBL6401384 0.86 TAAR1 (0.52) MMP8MMP13MMP12MMP1MMP7
SCHEMBL6276800 0.79 MMP13 (0.49) MMP8MMP13MMP12MMP1MMP9
SCHEMBL6732244 0.78 MMP9 (0.52) MMP8MMP13MMP12MMP1MMP9

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-2004073599-A2 INHIBITORS OF HEPATITIS C VIRUS, COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2004-09-02 WO disclosed