SCHEMBL8073713

SCHEMBL8073713

O=C(O)C(CCCCCCOCc1ccccc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 4/20 0.48
MMP8 P22894 4/20 0.48
MMP9 P14780 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
EPHX2 P34913 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
MMP1 P03956 3/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
FOLH1 Q04609 1/20 0.46
TSHR P16473 1/20 0.45
GBA1 P04062 2/20 0.45
UGCG Q16739 2/20 0.45
GBA2 Q9HCG7 2/20 0.45
SLC1A1 P43005 1/20 0.44
TEAD3 Q99594 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
SCHEMBL8879002 0.98 MMP3 (0.49) MMP3MMP8MMP9L3MBTL1EPHX2
SCHEMBL14739095 0.89 MMP3 (0.46) MMP3MMP8MMP9L3MBTL1EPHX2
SCHEMBL8609583 0.89 MMP3 (0.53) MMP3MMP8MMP9L3MBTL1EPHX2
Butane SCHEMBL11295410 0.87 TDP1 (0.47) MMP3MMP8MMP9L3MBTL1TDP1
SCHEMBL7573913 0.87 TDP1 (0.55) MMP3MMP8MMP9L3MBTL1TDP1
SCHEMBL2973368 0.86 TSHR (0.52) L3MBTL1TDP1HTTSMN1; SMN2FOLH1
SCHEMBL6263485 0.86 MMP3 (0.48) MMP3MMP8MMP9L3MBTL1EPHX2
SCHEMBL16826227 0.85 TDP1 (0.59) MMP3MMP8MMP9L3MBTL1TDP1
SCHEMBL3290933 0.85 TDP1 (0.59) MMP3MMP8MMP9L3MBTL1TDP1
SCHEMBL25120992 0.84 MMP3 (0.50) MMP3MMP8MMP9L3MBTL1EPHX2

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-6030993-A INHIBITORS OF CARNITINE PALMITOYL TRANSFERASE; ANTIDIABETIC,-LIPEMIC AND HYPOGLYCEMIC AGENTS; SIDE EFFECT REDUCTION SANG SUP JEW (KR) 2000-02-29 US disclosed