SCHEMBL5301360

SCHEMBL5301360

CCOC(=O)C(O)(O)CCCCOCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.44
ALDH1A1 P00352 3/20 0.43
RECQL P46063 1/20 0.43
MMP8 P22894 1/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
PIN1 Q13526 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
NAAA Q02083 1/20 0.40
EPHX2 P34913 1/20 0.39
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MBOAT4 Q96T53 1/20 0.39

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
SCHEMBL17746742 0.86 CYP4F2 (0.50) L3MBTL1ALDH1A1RECQLMMP8MEN1
SCHEMBL8609385 0.86 L3MBTL1 (0.47) L3MBTL1ALDH1A1RECQLMMP8MEN1
SCHEMBL8070650 0.86 L3MBTL1 (0.45) L3MBTL1ALDH1A1RECQLMMP8MEN1
SCHEMBL30533340 0.85 CYP4F2 (0.52) L3MBTL1ALDH1A1RECQLMMP8PIN1
SCHEMBL22071031 0.85 CYP4F2 (0.52) L3MBTL1ALDH1A1RECQLMMP8PIN1
SCHEMBL30533338 0.85 CYP4F2 (0.52) L3MBTL1ALDH1A1RECQLMMP8PIN1
SCHEMBL850989 0.85 MMP8 (0.51) L3MBTL1ALDH1A1RECQLMMP8PIN1
SCHEMBL879888 0.85 MMP8 (0.51) L3MBTL1ALDH1A1RECQLMMP8PIN1
SCHEMBL14782773 0.84 L3MBTL1 (0.46) L3MBTL1ALDH1A1RECQLMMP8MEN1
SCHEMBL18601214 0.84 L3MBTL1 (0.56) L3MBTL1MMP8MEN1GAAKMT2A

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-2007014544-A2 STEREOSELECTIVE SYNTHESIS OF CHIRAL DIOLS JULICH CHIRAL SOLUTIONS GMBH (DE) 2007-02-08 WO disclosed