SCHEMBL4307907

SCHEMBL4307907

[CH2]CCCCOC(=O)OC1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 4/20 0.39
EPHX1 P07099 3/20 0.39
HTT P42858 1/20 0.38
CYP2C19 P33261 1/20 0.37
LMNA P02545 1/20 0.34
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
CYP19A1 P11511 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL4312944 0.98 NAAA (0.38) NAAAEPHX1HTTCYP2C19LMNA
SCHEMBL4307836 0.97 NAAA (0.40) NAAAEPHX1HTTCYP2C19LMNA
SCHEMBL2901152 0.95 NAAA (0.40) NAAAEPHX1HTTCYP2C19CYP19A1
SCHEMBL4314580 0.93 NAAA (0.39) NAAAEPHX1HTTCYP2C19CYP19A1
SCHEMBL8579936 0.87 EPHX1 (0.42) NAAAEPHX1HTTCYP2C19CYP19A1
SCHEMBL1559459 0.87 EPHX1 (0.42) NAAAEPHX1HTTCYP2C19CYP19A1
SCHEMBL9034880 0.85 NAAA (0.30) NAAA
SCHEMBL5245472 0.85 EPHX1 (0.39) NAAAEPHX1HTTCYP2C19CYP19A1
SCHEMBL11590755 0.83 NAAA (0.58) NAAAEPHX1HTTL3MBTL1
SCHEMBL11590153 0.83 NAAA (0.58) NAAAEPHX1HTTL3MBTL1

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-2009136965-A1 COMPOSITIONS AND METHODS COMPRISING CAPURAMYCIN ANALOGUES SEQUELLA, INC. (US) 2009-11-12 WO disclosed