SCHEMBL8609583

SCHEMBL8609583

O=C(O)C(CCCCCCOCc1ccccc1)CCCCCCOCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 5/20 0.53
MMP8 P22894 4/20 0.53
MMP9 P14780 3/20 0.53
MMP1 P03956 4/20 0.52
L3MBTL1 Q9Y468 2/20 0.50
SLC1A1 P43005 1/20 0.50
FOLH1 Q04609 2/20 0.47
EPHX2 P34913 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CYP1A2 P05177 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GRIK1 P39086 1/20 0.44
GBA1 P04062 1/20 0.44
UGCG Q16739 1/20 0.44
GBA2 Q9HCG7 1/20 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
SCHEMBL8073713 0.89 MMP3 (0.48) MMP3MMP8MMP9MMP1L3MBTL1
SCHEMBL20943371 0.87 MMP3 (0.47) MMP3MMP8MMP9MMP1L3MBTL1
SCHEMBL29902381 0.87 MMP3 (0.47) MMP3MMP8MMP9MMP1L3MBTL1
SCHEMBL8879002 0.87 MMP3 (0.49) MMP3MMP8MMP9MMP1L3MBTL1
SCHEMBL6263485 0.84 MMP3 (0.48) MMP3MMP8MMP9MMP1L3MBTL1
SCHEMBL17747741 0.84 CPA1 (0.54) MMP3MMP8MMP9MMP1SLC1A1
SCHEMBL17747737 0.84 CPA1 (0.54) MMP3MMP8MMP9MMP1SLC1A1
SCHEMBL8610090 0.84 MMP3 (0.51) MMP3MMP8MMP9MMP1L3MBTL1
SCHEMBL1768582 0.83 SLC1A1 (0.56) MMP3MMP8MMP9SLC1A1TDP1
SCHEMBL1768584 0.83 SLC1A1 (0.56) MMP3MMP8MMP9SLC1A1TDP1

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-5750213-A MOLECULAR ORIENTATION SHARP KABUSHIKI KAISHA (JP) 1998-05-12 US disclosed