SCHEMBL28015108

SCHEMBL28015108

CC(C)C1CCCCC1CCOC(=O)CCC(=O)OCCC1CCCCC1C(C)C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
ADRA2A P08913 1/20 0.35
ADRA1A P35348 1/20 0.35
MAPT P10636 2/20 0.34
BLM P54132 1/20 0.34
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
EPHX2 P34913 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 1/20 0.31
ATM Q13315 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31

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
SCHEMBL28014442 0.81 HMGCR (0.36) LMNAADRA2AADRA1AMAPTBLM
SCHEMBL11671422 0.78 CA1 (0.35) CA1CA2CA4
SCHEMBL4661799 0.77 CA1 (0.33) CA1CA2CA4
SCHEMBL28014444 0.76 LMNA (0.45) LMNAADRA2AADRA1AMAPTBLM
SCHEMBL16191527 0.74 CA1 (0.39) CA1CA2CA4
SCHEMBL4661800 0.71 CA1 (0.39) CA1CA2CA4
SCHEMBL28014428 0.71 LMNA (0.39) LMNAADRA2AADRA1AMAPTBLM
SCHEMBL19690601 0.69 ALDH1A1 (0.40) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL27622679 0.69 ALDH1A1 (0.40) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL14392077 0.68 EPHX1 (0.36) MEN1KMT2ACA1CA2CA4

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
CN-104736627-A Propylene resin composition for retort pouch-packaging film SUN ALLOMER LTD 2015-06-24 CN disclosed