SCHEMBL8313751

SCHEMBL8313751

O=C(NO)[C@H]1CCCCC1SCCc1ccc(-c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.49
MMP13 P45452 7/20 0.47
MMP12 P39900 2/20 0.47
MMP8 P22894 1/20 0.47
MMP2 P08253 5/20 0.47
MMP9 P14780 5/20 0.47
MMP1 P03956 3/20 0.47
MMP3 P08254 3/20 0.47
TAAR1 Q96RJ0 2/20 0.45
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 1/20 0.43
RAB9A P51151 1/20 0.43
HDAC2 Q92769 2/20 0.42
HDAC1 Q13547 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
SCHEMBL6270534 1.00 CTSK (0.49) CTSKMMP13MMP12MMP8MMP2
SCHEMBL6270538 1.00 CTSK (0.49) CTSKMMP13MMP12MMP8MMP2
SCHEMBL6269979 1.00 CTSK (0.49) CTSKMMP13MMP12MMP8MMP2
SCHEMBL8314491 0.94 CTSK (0.54) CTSKMMP13MMP12MMP8MMP2
SCHEMBL6271166 0.94 CTSK (0.54) CTSKMMP13MMP12MMP8MMP2
SCHEMBL6271164 0.94 CTSK (0.54) CTSKMMP13MMP12MMP8MMP2
SCHEMBL6270676 0.87 MMP13 (0.53) CTSKMMP13MMP12MMP2MMP9
SCHEMBL6807393 0.87 MMP13 (0.53) CTSKMMP13MMP12MMP2MMP9
SCHEMBL6270678 0.87 MMP13 (0.53) CTSKMMP13MMP12MMP2MMP9
SCHEMBL6266968 0.84 MMP13 (0.44) MMP13MMP12MMP8MMP2MMP9

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