SCHEMBL19645166

SCHEMBL19645166

O=C(CCOCC(COCCC(=O)NCC(=O)ON1C(=O)CCC1=O)(COCCC(=O)NCC(=O)ON1C(=O)CCC1=O)NC(=O)OCc1ccccc1)NCC(=O)ON1C(=O)CCC1=O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
ALDH1A1 P00352 2/20 0.39
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
GSK3B P49841 1/20 0.38
CASP1 P29466 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
TPSAB1 Q15661 1/20 0.37
TPSD1 Q9BZJ3 1/20 0.37
TPSG1 Q9NRR2 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 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
SCHEMBL5352301 0.84 ALDH1A1 (0.51) SMN1; SMN2LMNAALDH1A1CASP1HTT
SCHEMBL31418693 0.84 ALDH1A1 (0.51) SMN1; SMN2LMNAALDH1A1CASP1HTT
SCHEMBL30442090 0.84 ALDH1A1 (0.51) SMN1; SMN2LMNAALDH1A1CASP1HTT
SCHEMBL1412214 0.82 TPSAB1 (0.50) SMN1; SMN2LMNAALDH1A1CCNE1CDK2
SCHEMBL20785502 0.78 ALDH1A1 (0.47) SMN1; SMN2LMNAALDH1A1CASP1HTT
SCHEMBL22043005 0.77 HDAC2 (0.45) SMN1; SMN2LMNAALDH1A1HTTMEN1
SCHEMBL5057001 0.77 HTT (0.52) SMN1; SMN2LMNAALDH1A1CASP1HTT
SCHEMBL23451324 0.77 SMN1; SMN2 (0.48) SMN1; SMN2LMNAALDH1A1GAAHTT
SCHEMBL10177562 0.76 HTT (0.48) SMN1; SMN2LMNAHTT
SCHEMBL25333732 0.76 LMNA (0.63) SMN1; SMN2LMNAGAAHTTTPSAB1

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
US-9879041-B2 Saccharide dendritic cluster compounds as inhibitors of BACE-1 VICTORIA LINK LIMITED (NZ) 2018-01-30 US disclosed
US-9828341-B2 Dendritic core compounds VICTORIA LINK LIMITED (NZ) 2017-11-28 US disclosed