SCHEMBL2491703

SCHEMBL2491703

CCCCCC(=O)[C@]1(COC)CCCCC1C

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.40
PRKCA P17252 5/20 0.33
L3MBTL1 Q9Y468 2/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL1142551 1.00 NAAA (0.40) NAAAPRKCAL3MBTL1CES2CES1
SCHEMBL1143280 0.99 NAAA (0.42) NAAAPRKCACES2CES1
SCHEMBL1142815 0.99 NAAA (0.42) NAAAPRKCACES2CES1
SCHEMBL1142521 0.96 NAAA (0.38) NAAAPRKCAL3MBTL1CES2CES1
SCHEMBL1142740 0.96 NAAA (0.35) NAAAMEN1KMT2A
SCHEMBL2347085 0.94 NAAA (0.40) NAAAPRKCACES2CES1MEN1
SCHEMBL1142980 0.94 NAAA (0.40) NAAAPRKCACES2CES1MEN1
SCHEMBL1143586 0.94 NAAA (0.40) NAAAPRKCACES2CES1MEN1
SCHEMBL1142880 0.92 MEN1 (0.33) NAAAPRKCAMEN1KMT2A
SCHEMBL1142573 0.90 DPP4 (0.33) NAAA

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
EP-2539375-A2 INTERNAL AND EXTERNAL DONOR COMPOUNDS FOR OLEFIN POLYMERIZATION CATALYSTS II BASF Corporation (US) 2013-01-02 EP disclosed
WO-2011106480-A2 INTERNAL AND EXTERNAL DONOR COMPOUNDS FOR OLEFIN POLYMERIZATION CATALYSTS II BASF CORPORATION (US) 2011-09-01 WO disclosed