SCHEMBL13420165

SCHEMBL13420165

CCOC(=O)CC(NCCCCCCO)C(=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
GAA P10253 2/20 0.38
MGAM O43451 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
CYP4F2 P78329 2/20 0.38
CYP4A11 Q02928 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
ACHE P22303 6/20 0.36
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 2/20 0.35
ALOX15 P16050 2/20 0.35
TSHR P16473 1/20 0.35
CHRM1 P11229 1/20 0.34

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
SCHEMBL31121509 0.94 KMT2A (0.47) KMT2APOLBL3MBTL1CYP1A2CYP2C9
SCHEMBL13791979 0.94 KMT2A (0.47) KMT2APOLBL3MBTL1CYP1A2CYP2C9
SCHEMBL12658495 0.89 CYP4F2 (0.37) KMT2APOLBL3MBTL1CYP1A2CYP2C9
SCHEMBL27641987 0.89 KMT2A (0.44) KMT2APOLBL3MBTL1CYP1A2CYP2C9
SCHEMBL27641985 0.89 KMT2A (0.44) KMT2APOLBL3MBTL1CYP1A2CYP2C9
SCHEMBL12470925 0.89 KMT2A (0.44) KMT2APOLBL3MBTL1CYP1A2CYP2C9
SCHEMBL16239915 0.86 KMT2A (0.42) KMT2APOLBL3MBTL1CYP1A2CYP2C9
SCHEMBL5474645 0.85 KMT2A (0.47) KMT2APOLBL3MBTL1CYP1A2CYP2C9
SCHEMBL12641015 0.84 CYP1A2 (0.47) KMT2APOLBL3MBTL1CYP1A2CYP2C9
SCHEMBL16239707 0.84 KMT2A (0.43) KMT2APOLBL3MBTL1CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7682665-B2 Durable coating compositions containing novel aspartic amine compounds E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-03-23 US disclosed
US-7682665-B2 Durable coating compositions containing novel aspartic amine compounds E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-03-23 US disclosed
US-7674499-B2 Durable coating compositions containing novel aspartic amine compounds E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-03-09 US disclosed
US-7674499-B2 Durable coating compositions containing novel aspartic amine compounds E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-03-09 US disclosed
US-7214828-B2 Durable coating compositions containing novel aspartic amine compounds E. I. DUPONT DE NEMOURS AND COMPANY (US) 2007-05-08 US disclosed
US-7214828-B2 Durable coating compositions containing novel aspartic amine compounds E. I. DUPONT DE NEMOURS AND COMPANY (US) 2007-05-08 US disclosed