SCHEMBL2147485

SCHEMBL2147485

CCOC(=O)C(C)COC(=O)ON1C(=O)CCC1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 7/20 0.35
MEN1 O00255 6/20 0.35
ALDH1A1 P00352 5/20 0.35
LMNA P02545 3/20 0.35
GAA P10253 2/20 0.35
CYP2C9 P11712 1/20 0.35
NFKB1 P19838 1/20 0.35
PTGS1 P23219 1/20 0.35
APEX1 P27695 1/20 0.35
THPO P40225 1/20 0.35
PMP22 Q01453 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
RAB9A P51151 2/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CYP2D6 P10635 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL1799869 0.84 ALDH1A1 (0.46) CYP2C19KMT2AMEN1ALDH1A1LMNA
SCHEMBL1764576 0.82 KMT2A (0.49) CYP3A4KMT2AMEN1ALDH1A1LMNA
SCHEMBL21713063 0.80 ALDH1A1 (0.35) CYP3A4CYP2C19KMT2AMEN1ALDH1A1
SCHEMBL12972246 0.79 KMT2A (0.35) CYP3A4KMT2AMEN1LMNACYP2C9
SCHEMBL13108203 0.79 LMNA (0.35) CYP3A4KMT2AMEN1LMNACYP2C9
SCHEMBL836758 0.78 ALDH1A1 (0.33) CYP3A4KMT2AMEN1ALDH1A1LMNA
SCHEMBL4698289 0.78 ALDH1A1 (0.35) CYP3A4CYP2C19KMT2AMEN1ALDH1A1
SCHEMBL1346331 0.78 MEN1 (0.31) CYP3A4KMT2AMEN1LMNACYP2C9
SCHEMBL14948532 0.78 MAPK1 (0.32) CYP3A4KMT2AMEN1LMNACYP2C9
SCHEMBL14794931 0.77 MEN1 (0.33) CYP3A4KMT2AMEN1LMNACYP2C9

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
WO-2011091164-A1 ORAL DOSAGE FORMS HAVING A HIGH LOADING OF A TRANEXAMIC ACID PRODRUG XENOPORT, INC. (US) 2011-07-28 WO disclosed