SCHEMBL8610090

SCHEMBL8610090

CCOC(=O)C(CCCCCCOCc1ccccc1)CCCCCCOCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 5/20 0.51
MMP8 P22894 4/20 0.51
MMP9 P14780 3/20 0.51
MMP1 P03956 4/20 0.50
L3MBTL1 Q9Y468 6/20 0.48
TDP1 Q9NUW8 2/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPK1 P28482 1/20 0.45
LMNA P02545 1/20 0.45
HSD17B10 Q99714 1/20 0.43
EPHX2 P34913 1/20 0.43

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
SCHEMBL3290933 0.89 TDP1 (0.59) MMP3MMP8MMP9MMP1L3MBTL1
SCHEMBL16826227 0.89 TDP1 (0.59) MMP3MMP8MMP9MMP1L3MBTL1
SCHEMBL7573913 0.88 TDP1 (0.55) MMP3MMP8MMP9MMP1L3MBTL1
SCHEMBL5857539 0.87 TDP1 (0.61) MMP3MMP8MMP9MMP1L3MBTL1
SCHEMBL27423189 0.85 PRSS1 (0.49) MMP3MMP8MMP9MMP1L3MBTL1
SCHEMBL23426290 0.84 L3MBTL1 (0.44) MMP3MMP8MMP9MMP1L3MBTL1
SCHEMBL8609583 0.84 MMP3 (0.53) MMP3MMP8MMP9MMP1L3MBTL1
SCHEMBL5321935 0.83 TDP1 (0.67) MMP3MMP8MMP1L3MBTL1TDP1
SCHEMBL23768768 0.83 MMP3 (0.43) MMP3MMP8MMP9MMP1L3MBTL1
SCHEMBL25802071 0.82 L3MBTL1 (0.53) MMP3MMP8MMP9MMP1L3MBTL1

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