SCHEMBL9115091

SCHEMBL9115091

CCOC(=O)C(CCOCc1ccccc1)(CCOCc1ccccc1)C(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 2/20 0.50
ALDH1A1 P00352 6/20 0.47
RECQL P46063 1/20 0.47
PIN1 Q13526 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
GAA P10253 1/20 0.43
LMNA P02545 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
TSHR P16473 2/20 0.41
MAPK1 P28482 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
PPID Q08752 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL9115819 0.93 MMP8 (0.47) MMP8ALDH1A1RECQLPIN1SMN1; SMN2
SCHEMBL6483355 0.92 MMP8 (0.46) MMP8ALDH1A1RECQLPIN1SMN1; SMN2
SCHEMBL8609385 0.89 L3MBTL1 (0.47) MMP8ALDH1A1RECQLPIN1SMN1; SMN2
SCHEMBL7910569 0.88 MMP8 (0.43) MMP8ALDH1A1RECQLPIN1SMN1; SMN2
SCHEMBL9116769 0.88 MMP8 (0.57) MMP8ALDH1A1RECQLPIN1SMN1; SMN2
SCHEMBL20076113 0.87 MMP8 (0.48) MMP8ALDH1A1RECQLPIN1SMN1; SMN2
SCHEMBL28675737 0.85 MMP8 (0.48) MMP8ALDH1A1RECQLPIN1KMT2A
SCHEMBL22087971 0.84 MMP8 (0.53) MMP8ALDH1A1RECQLPIN1KMT2A
SCHEMBL3725218 0.84 MMP8 (0.47) MMP8ALDH1A1RECQLPIN1SMN1; SMN2
SCHEMBL14782773 0.84 L3MBTL1 (0.46) MMP8ALDH1A1RECQLPIN1SMN1; SMN2

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-1995022330-A1 ANTIVIRAL AGENTS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1995-08-24 WO disclosed