SCHEMBL4459660

SCHEMBL4459660

CCC(C)(OC(=O)CCCCC(=O)OC(C)(CC)C(=O)O)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PAM P19021 2/20 0.37
DGKA P23743 1/20 0.36
CES2 O00748 4/20 0.34
CES1 P23141 4/20 0.34
TSHR P16473 2/20 0.34
LMNA P02545 3/20 0.34
KDM4E B2RXH2 1/20 0.33
DUSP3 P51452 1/20 0.33
AKR1B1 P15121 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
GAA P10253 1/20 0.32

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
SCHEMBL2250835 0.94 PAM (0.46) PAMDGKACES2CES1TSHR
SCHEMBL28437701 0.88 ALDH1A1 (0.44) CES2CES1TSHRLMNAMEN1
SCHEMBL1396429 0.83 ADORA3 (0.35) TSHRKMT2AADORA3GAA
SCHEMBL1396427 0.83 ADORA3 (0.35) TSHRKMT2AADORA3GAA
SCHEMBL28246112 0.80 PAM (0.47) PAMDGKATSHRLMNAKDM4E
SCHEMBL8997387 0.80 PAM (0.51) PAMDGKATSHRLMNAKDM4E
SCHEMBL28022715 0.80 PAM (0.47) PAMDGKATSHRLMNAKDM4E
SCHEMBL28022796 0.80 PAM (0.47) PAMDGKATSHRLMNAKDM4E
SCHEMBL5497362 0.78 LMNA (0.51) PAMDGKALMNAKDM4EDUSP3
SCHEMBL31515323 0.78 GAA (0.43) KDM4EADORA3GAA

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
WO-2009064851-A2 PLASTICIZED POLY(HYDROXYALKANOIC ACID) COMPOSITION E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-05-22 WO claimed
WO-2009064851-A2 PLASTICIZED POLY(HYDROXYALKANOIC ACID) COMPOSITION E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-05-22 WO disclosed