SCHEMBL2564081

SCHEMBL2564081

CCCCCCCCCCCC(=O)C(=O)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CES2 O00748 9/20 1.00
CES1 P23141 9/20 1.00
NAAA Q02083 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
EPHX2 P34913 1/20 0.50
PTGS2 P35354 1/20 0.50

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
SCHEMBL9292210 1.00 CES2 (1.00) CES2CES1NAAAL3MBTL1LMNA
SCHEMBL28069086 1.00 CES2 (1.00) CES2CES1NAAAL3MBTL1LMNA
SCHEMBL15825890 1.00 CES2 (1.00) CES2CES1NAAAL3MBTL1LMNA
SCHEMBL7219754 0.98 CES2 (1.00) CES2CES1NAAAL3MBTL1LMNA
SCHEMBL11664390 0.95 CES2 (0.93) CES2CES1NAAAL3MBTL1LMNA
SCHEMBL7219046 0.92 CES1 (1.00) CES2CES1NAAAL3MBTL1LMNA
SCHEMBL5698577 0.89 CES2 (0.81) CES2CES1NAAAL3MBTL1LMNA
SCHEMBL18766168 0.89 CES2 (0.81) CES2CES1NAAAL3MBTL1LMNA
SCHEMBL28378143 0.87 CES2 (0.80) CES2CES1NAAAL3MBTL1LMNA
SCHEMBL12520000 0.86 CES2 (0.76) CES2CES1NAAAL3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2038341-B1 COMPOSITION WITH A POLYMER AND AN OXIDATION-CATALYST DSM IP ASSETS BV (NL) 2011-11-02 EP disclosed
US-20100130695-A1 COMPOSITION WITH A POLYMER AND AN OXIDATION-CATALYST DSM IP ASSETS B.V. (NL) 2010-05-27 US disclosed
EP-2038341-A1 COMPOSITION WITH A POLYMER AND AN OXIDATION-CATALYST DSMIP Assets B.V. (NL) 2009-03-25 EP disclosed
WO-2008006493-A1 COMPOSITION WITH A POLYMER AND AN OXIDATION-CATALYST DSM IP ASSETS B.V. (NL) 2008-01-17 WO disclosed