SCHEMBL4702471

SCHEMBL4702471

CCC(=O)OCCCCOC(=O)ON1C(=O)CCC1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.47
HTT P42858 1/20 0.40
GAA P10253 1/20 0.39
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
BLM P54132 1/20 0.37
WRN Q14191 1/20 0.37
HIF1A Q16665 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALOX12 P18054 1/20 0.36
PRKCA P17252 6/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
RECQL P46063 1/20 0.32
NPSR1 Q6W5P4 2/20 0.32
RAD52 P43351 1/20 0.32

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
SCHEMBL4698375 0.97 NAAA (0.43) NAAAHTTGAAALDH1A1CYP1A2
SCHEMBL4698358 0.88 PRKCA (0.39) NAAAGAAALDH1A1ALOX12PRKCA
SCHEMBL2037671 0.87 NAAA (0.42) NAAAALDH1A1PRKCAKMT2AMAPK1
SCHEMBL1949595 0.87 ALOX12 (0.38) NAAAHTTALDH1A1HPGDALOX12
SCHEMBL13748507 0.87 ALOX12 (0.38) NAAAHTTALDH1A1HPGDALOX12
SCHEMBL15583436 0.87 GAA (0.36) NAAAGAAALDH1A1CYP1A2HPGD
SCHEMBL22919640 0.86 NAAA (0.44) NAAAALDH1A1PRKCAKMT2AMAPT
SCHEMBL7278773 0.86 NAAA (0.44) NAAAALDH1A1PRKCAKMT2AMAPT
SCHEMBL13541624 0.85 ALDH1A1 (0.42) NAAAALDH1A1CYP1A2HPGDCYP2C19
SCHEMBL1280224 0.85 ALOX12 (0.37) HTTALDH1A1HPGDALOX12

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