SCHEMBL7682044

SCHEMBL7682044

O=C(CCC(=O)NCCCOCCOCCOCCCNC(=O)OCc1ccccc1)NCCCOCCOCCOCCCNC(=O)OCc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.69
SMN1; SMN2 Q16637 2/20 0.69
HTT P42858 1/20 0.66
TGM2 P21980 1/20 0.55
L3MBTL1 Q9Y468 3/20 0.54
KEAP1 Q14145 2/20 0.54
NFE2L2 Q16236 2/20 0.54
HDAC3 O15379 1/20 0.54
HDAC4 P56524 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
HDAC9 Q9UKV0 1/20 0.54
HDAC5 Q9UQL6 1/20 0.54
NCOR2 Q9Y618 1/20 0.54
MEN1 O00255 1/20 0.54

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
SCHEMBL20285821 0.96 HTT (0.69) LMNASMN1; SMN2HTTTGM2L3MBTL1
SCHEMBL17532634 0.93 LMNA (0.79) LMNASMN1; SMN2HTTTGM2L3MBTL1
SCHEMBL17532242 0.90 LMNA (0.66) LMNASMN1; SMN2HTTTGM2L3MBTL1
SCHEMBL24038747 0.88 LMNA (0.76) LMNASMN1; SMN2HTTTGM2L3MBTL1
SCHEMBL30189707 0.88 HTT (0.68) LMNASMN1; SMN2HTTTGM2L3MBTL1
SCHEMBL759375 0.86 LMNA (0.69) LMNASMN1; SMN2HTTTGM2L3MBTL1
SCHEMBL14288941 0.86 LMNA (0.69) LMNASMN1; SMN2HTTTGM2L3MBTL1
SCHEMBL14288938 0.86 LMNA (0.69) LMNASMN1; SMN2HTTTGM2L3MBTL1
SCHEMBL4654796 0.86 LMNA (0.69) LMNASMN1; SMN2HTTTGM2L3MBTL1
SCHEMBL25030545 0.86 LMNA (0.73) LMNASMN1; SMN2HTTTGM2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6355810-B1 TREATMENT AND PREVENTION OF HYPERCHOLESTEROLEMIA, HYPERLIPIDEMIA, ATHEROSCLEROSIS ADVANCED MEDICINE, INC. 2002-03-12 US disclosed