SCHEMBL9007659

SCHEMBL9007659

CCCCCCCCCCCCCCCCCCC(C(=O)O)C(=O)OCc1ccc(CO)c(C(C)(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
XBP1 P17861 1/20 0.36
ATM Q13315 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ACE2 Q9BYF1 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
KCNH2 Q12809 1/20 0.34
PRSS1 P07477 1/20 0.33
CTSG P08311 1/20 0.33
CTRB1 P17538 1/20 0.33
CMA1 P23946 1/20 0.33
FFAR1 O14842 2/20 0.33
MBOAT4 Q96T53 1/20 0.33
S1PR2 O95136 2/20 0.33
S1PR1 P21453 2/20 0.33
S1PR4 O95977 1/20 0.33
S1PR3 Q99500 1/20 0.33
PPARG P37231 1/20 0.33

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
SCHEMBL5030601 0.78 GAA (0.43) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL28556815 0.75 ALDH1A1 (0.52) L3MBTL1SIRT2SIRT1
SCHEMBL9007658 0.73 ACE2 (0.40) L3MBTL1ACE2PPARGPPARA
SCHEMBL5030597 0.73 GAA (0.44) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL9063428 0.73 L3MBTL1 (0.51) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL17381379 0.72 CETP (0.54) L3MBTL1SIRT2SIRT1
SCHEMBL7537791 0.72 CETP (0.54) L3MBTL1SIRT2SIRT1
SCHEMBL27369903 0.72 CETP (0.54) L3MBTL1SIRT2SIRT1
SCHEMBL29078539 0.72 CYP3A4 (0.37) GAAKCNH2S1PR2S1PR1S1PR3
SCHEMBL2546373 0.72 PPARG (0.48) PPARGPPARA

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
EP-0516006-B1 4,4'-Biphenylenediphosphonite compound and use thereof YOSHITOMI PHARMACEUTICAL (JP) 1996-10-23 EP claimed