SCHEMBL28014428

SCHEMBL28014428

O=C(CCC(=O)OCCC1CCCC1C1CCCCC1)OCCC1CCCC1C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
EPHX2 P34913 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA1A P35348 1/20 0.32
MAPT P10636 2/20 0.31
BLM P54132 1/20 0.31
ATM Q13315 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL28014429 0.94 LMNA (0.49) LMNAMEN1KMT2ACYP1A2CYP2D6
SCHEMBL29117633 0.77 THRB (0.39) MEN1KMT2ACYP1A2CYP2D6ALDH1A1
SCHEMBL13010329 0.72 TSHR (0.41) SMN1; SMN2ALDH1A1
SCHEMBL29107838 0.72 CYP1A2 (0.36) LMNACYP1A2CYP2D6EPHX2
SCHEMBL28014442 0.71 HMGCR (0.36) LMNAMEN1KMT2AEPHX2SMN1; SMN2
SCHEMBL28015108 0.71 LMNA (0.39) LMNAMEN1KMT2AEPHX2SMN1; SMN2
SCHEMBL9880985 0.71 THRB (0.39) MEN1KMT2ACYP2D6ALDH1A1
SCHEMBL11536900 0.70 LMNA (0.44) LMNAMEN1KMT2ACYP1A2CYP2D6
SCHEMBL459519 0.70 CYP19A1 (0.35) MEN1KMT2ACYP1A2CYP2D6SMN1; SMN2
SCHEMBL21771834 0.69 NAAA (0.38) LMNAMEN1KMT2AALDH1A1

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