SCHEMBL2596563

SCHEMBL2596563

CCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(OC(=O)c5ccccc5)ccc4[C@H]3CC[C@]12C

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 8/20 0.71
MAPT P10636 7/20 0.71
KMT2A Q03164 7/20 0.71
ESR1 P03372 6/20 0.71
SMN1; SMN2 Q16637 5/20 0.71
MEN1 O00255 5/20 0.71
ADORA3 P0DMS8 5/20 0.71
ATM Q13315 3/20 0.71
NR3C1 P04150 1/20 0.71
SHBG P04278 1/20 0.71
FYN P06241 1/20 0.71
ADRA2C P18825 1/20 0.71
SLC6A2 P23975 1/20 0.71
SLC6A4 P31645 1/20 0.71
HTR2B P41595 1/20 0.71
HTT P42858 1/20 0.71
THRB P10828 1/20 0.71
CYP3A4 P08684 7/20 0.65
TP53 P04637 4/20 0.65
ALOX15 P16050 3/20 0.65

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
SCHEMBL3300046 0.91 LMNA (0.80) LMNAMAPTKMT2AESR1SMN1; SMN2
SCHEMBL9404737 0.91 MAPT (0.83) LMNAMAPTKMT2AESR1SMN1; SMN2
SCHEMBL8155723 0.89 MAPT (0.81) LMNAMAPTKMT2AESR1SMN1; SMN2
SCHEMBL3868065 0.86 MAPT (0.66) LMNAMAPTKMT2AESR1SMN1; SMN2
SCHEMBL146888 0.85 LMNA (0.82) LMNAMAPTKMT2AESR1SMN1; SMN2
SCHEMBL3299315 0.85 MAPT (0.81) LMNAMAPTKMT2AESR1SMN1; SMN2
Estradiol Cypionate SCHEMBL7180612 0.85 LMNA (0.74) LMNAMAPTKMT2AESR1SMN1; SMN2
SCHEMBL8465006 0.85 MAPT (0.79) LMNAMAPTKMT2AESR1SMN1; SMN2
SCHEMBL9173174 0.85 LMNA (0.66) LMNAMAPTKMT2AESR1SMN1; SMN2
SCHEMBL24102647 0.85 LMNA (0.81) LMNAMAPTKMT2AESR1SMN1; SMN2

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
WO-2011143208-A1 GLUCAGON SUPERFAMILY PEPTIDES EXHIBITING G PROTEIN-COUPLED RECEPTOR ACTIVITY INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2011-11-17 WO disclosed