SCHEMBL5028516

SCHEMBL5028516

CCOC(=O)CC1(C(C)=O)CCCC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.41
MGAM O43451 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
KMT2A Q03164 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 7/20 0.39
TRPA1 O75762 1/20 0.39
HSD17B10 Q99714 2/20 0.38
LMNA P02545 1/20 0.38
KDM4E B2RXH2 5/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
CYP2C19 P33261 1/20 0.35
CYP1A2 P05177 1/20 0.34
HPGD P15428 2/20 0.33
MEN1 O00255 2/20 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
SCHEMBL3707904 0.85 CYP2C19 (0.53) GAAMGAMSIMGAM2KMT2A
SCHEMBL2938022 0.83 CYP2C19 (0.57) GAAMGAMSIMGAM2KMT2A
SCHEMBL7848700 0.78 GAA (0.46) GAAMGAMSIMGAM2KMT2A
SCHEMBL12923292 0.76 GAA (0.44) GAAMGAMSIMGAM2KMT2A
SCHEMBL8264963 0.76 CYP2C19 (0.50) GAAMGAMSIMGAM2KMT2A
SCHEMBL10826905 0.76 KMT2A (0.45) GAAMGAMSIMGAM2KMT2A
SCHEMBL4577419 0.76 GAA (0.44) GAAMGAMSIMGAM2KMT2A
SCHEMBL28630400 0.76 GAA (0.44) GAAMGAMSIMGAM2KMT2A
SCHEMBL1299240 0.74 KMT2A (0.44) GAAMGAMSIMGAM2KMT2A
SCHEMBL8266120 0.74 KMT2A (0.44) GAAMGAMSIMGAM2KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1951244-A2 CALCILYTIC COMPOUNDS SmithKline Beecham Corporation (US) 2008-08-06 EP disclosed
WO-2007062370-A2 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-05-31 WO disclosed