SCHEMBL2551652

SCHEMBL2551652

CCC(C(N)=O)n1c(C)cc(C=O)c1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 15/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
POLB P06746 6/20 0.39
L3MBTL1 Q9Y468 5/20 0.39
CTDSP1 Q9GZU7 3/20 0.39
CASP6 P55212 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
ALOX12 P18054 1/20 0.38
LMNA P02545 3/20 0.38
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 4/20 0.36
APEX1 P27695 3/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36

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
SCHEMBL2559607 0.80 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2POLBL3MBTL1CTDSP1
SCHEMBL2558341 0.71 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2POLBL3MBTL1CTDSP1
SCHEMBL2557989 0.71 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2POLBL3MBTL1CTDSP1
SCHEMBL2558791 0.69 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2POLBL3MBTL1CTDSP1
SCHEMBL2561259 0.69 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2POLBL3MBTL1CTDSP1
SCHEMBL2555988 0.68 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2POLBL3MBTL1CTDSP1
SCHEMBL15330935 0.68 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2POLBL3MBTL1CTDSP1
SCHEMBL21227822 0.68 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2POLBL3MBTL1CTDSP1
SCHEMBL15332496 0.65 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2POLBL3MBTL1CTDSP1
SCHEMBL14232240 0.64 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2POLBL3MBTL1CTDSP1

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-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed