SCHEMBL2561469

SCHEMBL2561469

CC(C)CNC(=O)COc1ccccc1OCC=O

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.51
LMNA P02545 3/20 0.51
NPSR1 Q6W5P4 2/20 0.47
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.46
GAA P10253 2/20 0.45
POLB P06746 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
USP2 O75604 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
TSHR P16473 1/20 0.43
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL2560324 0.83 PTGDR2 (0.57) HSD17B10SMN1; SMN2LMNANPSR1ALDH1A1
SCHEMBL6539788 0.79 PARP1 (0.55) HSD17B10SMN1; SMN2LMNAALDH1A1HPGD
SCHEMBL6538497 0.78 ALDH1A1 (0.56) HSD17B10SMN1; SMN2LMNANPSR1ALDH1A1
SCHEMBL2559435 0.76 MEN1 (0.49) HSD17B10SMN1; SMN2LMNANPSR1ALDH1A1
SCHEMBL11664167 0.76 SMN1; SMN2 (0.72) SMN1; SMN2LMNAALDH1A1HPGDPOLB
SCHEMBL2562037 0.74 ALDH1A1 (0.75) SMN1; SMN2LMNAALDH1A1HPGDPOLB
SCHEMBL2556136 0.74 PTGDR2 (0.64) HSD17B10SMN1; SMN2ALDH1A1HPGDPOLB
SCHEMBL2554954 0.73 SRC (0.50) HSD17B10SMN1; SMN2LMNANPSR1ALDH1A1
SCHEMBL2558079 0.72 HPGD (0.46) SMN1; SMN2LMNAALDH1A1HPGDMAPK1
SCHEMBL6538760 0.72 HTT (0.52) SMN1; SMN2LMNANPSR1ALDH1A1HPGD

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