SCHEMBL12355355

SCHEMBL12355355

CCC(C)COCCCNC(=O)CCCC(=O)ON1C(=O)CCC1=O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
TSHR P16473 2/20 0.38
HSD17B10 Q99714 2/20 0.36
POLB P06746 1/20 0.36
EPHX2 P34913 1/20 0.34
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
USP2 O75604 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
MMP14 P50281 1/20 0.32
NAMPT P43490 1/20 0.32
TLR2 O60603 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
SCHEMBL14117838 0.96 SMN1; SMN2 (0.40) SMN1; SMN2HPGDHTTTSHRHSD17B10
SCHEMBL21342633 0.85 HPGD (0.39) SMN1; SMN2HPGDHTTTSHRHSD17B10
SCHEMBL12355359 0.85 SMN1; SMN2 (0.38) SMN1; SMN2HPGDHTTEPHX2LMNA
SCHEMBL12047617 0.83 MMP9 (0.41) SMN1; SMN2HPGDHTTTSHRHSD17B10
SCHEMBL12989947 0.81 HPGD (0.46) SMN1; SMN2HPGDHTTTSHRHSD17B10
SCHEMBL19543157 0.81 L3MBTL1 (0.45) SMN1; SMN2HPGDHTTTSHRL3MBTL1
SCHEMBL13496633 0.81 MMP9 (0.41) SMN1; SMN2HPGDHTTTSHRHSD17B10
SCHEMBL15576211 0.81 SMN1; SMN2 (0.35) SMN1; SMN2HPGDHTTTSHRHSD17B10
SCHEMBL17773347 0.80 SMN1; SMN2 (0.47) SMN1; SMN2HPGDHTTTSHRHSD17B10
SCHEMBL11990467 0.80 L3MBTL1 (0.50) SMN1; SMN2HPGDHTTEPHX2L3MBTL1

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-8003117-B2 Purity; polyether containing glycerol backbone capable of being label NOF CORPORATION (JP) 2011-08-23 US disclosed