SCHEMBL4698289

SCHEMBL4698289

CCC(=O)OCC(C)COC(=O)ON1C(=O)CCC1=O

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
BLM P54132 1/20 0.35
WRN Q14191 1/20 0.35
HIF1A Q16665 1/20 0.35
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
NFKB1 P19838 1/20 0.34
PTGS1 P23219 1/20 0.34
APEX1 P27695 1/20 0.34
THPO P40225 1/20 0.34
PMP22 Q01453 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GAA P10253 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
SCHEMBL4698290 0.89 MAPT (0.35) ALDH1A1MEN1LMNACYP3A4CYP2C9
SCHEMBL917125 0.87 MEN1 (0.36) MEN1LMNACYP3A4CYP2C9NFKB1
SCHEMBL4701760 0.86 MAPT (0.42) ALDH1A1BLMMEN1LMNACYP3A4
SCHEMBL2193456 0.85 MEN1 (0.35) MEN1LMNACYP3A4CYP2C9NFKB1
SCHEMBL4699686 0.85 TDP1 (0.35) MEN1LMNACYP3A4CYP2C9NFKB1
SCHEMBL12972246 0.84 KMT2A (0.35) MEN1LMNACYP3A4CYP2C9NFKB1
SCHEMBL4698309 0.81 PRKCA (0.36) MEN1LMNACYP3A4CYP2C9NFKB1
SCHEMBL1764576 0.81 KMT2A (0.49) ALDH1A1HPGDMEN1LMNACYP3A4
SCHEMBL4698375 0.79 NAAA (0.43) ALDH1A1CYP1A2HPGDCYP2C19BLM
SCHEMBL4702471 0.79 NAAA (0.47) ALDH1A1CYP1A2HPGDCYP2C19BLM

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-1919859-A2 ACYLOXYALKYL CARBAMATE PRODRUGS OF TRANEXAMIC ACID, METHODS OF SYNTHESIS AND USE Xenoport, Inc. (US) 2008-05-14 EP disclosed
WO-2007002013-A2 ACYLOXYALKYL CARBAMATE PRODRUGS OF TRANEXAMIC ACID, METHODS OF SYNTHESIS AND USE XENOPORT, INC. (US) 2007-01-04 WO disclosed