SCHEMBL14895396

SCHEMBL14895396

CCCC1CC(=O)NC1(C(=O)OCC)C(=O)OCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
GAA P10253 1/20 0.53
ALDH1A1 P00352 4/20 0.40
LMNA P02545 2/20 0.40
TSHR P16473 2/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 2/20 0.39
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA7 P43166 2/20 0.34
CA9 Q16790 2/20 0.34
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 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
SCHEMBL16032593 0.90 SMN1; SMN2 (0.50) SMN1; SMN2GAAALDH1A1LMNATSHR
SCHEMBL1169368 0.88 SMN1; SMN2 (0.56) SMN1; SMN2GAAALDH1A1LMNATSHR
SCHEMBL19850673 0.80 GAA (0.57) SMN1; SMN2GAAALDH1A1LMNAPOLB
SCHEMBL9786463 0.80 GAA (0.57) SMN1; SMN2GAAALDH1A1LMNAPOLB
SCHEMBL19850671 0.76 SMN1; SMN2 (0.64) SMN1; SMN2GAAALDH1A1LMNAPOLB
SCHEMBL9803175 0.76 SMN1; SMN2 (0.53) SMN1; SMN2GAAALDH1A1LMNATP53
SCHEMBL3904169 0.71 SMN1; SMN2 (0.90) SMN1; SMN2GAAALDH1A1LMNATSHR
SCHEMBL9802440 0.71 GAA (0.71) SMN1; SMN2GAAALDH1A1LMNAPOLB
SCHEMBL29791834 0.69 GAA (0.46) SMN1; SMN2GAAALDH1A1LMNATSHR
SCHEMBL29791881 0.69 GAA (0.46) SMN1; SMN2GAAALDH1A1LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140272066-A1 GLUTAMIC ACID DERIVATIVES GIVAUDAN SA (CH) 2014-09-18 US disclosed
EP-2770845-A2 ORGANIC COMPOUNDS Givaudan SA (CH) 2014-09-03 EP disclosed
WO-2013060814-A2 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2013-05-02 WO disclosed