SCHEMBL4698375

SCHEMBL4698375

CCC(=O)OCCCOC(=O)ON1C(=O)CCC1=O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.43
GAA P10253 1/20 0.39
HTT P42858 1/20 0.37
ALDH1A1 P00352 2/20 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
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
ALOX12 P18054 1/20 0.33
PRKCA P17252 6/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
MAPK1 P28482 1/20 0.30
LMNA P02545 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
SCHEMBL4702471 0.97 NAAA (0.47) NAAAGAAHTTALDH1A1CYP1A2
SCHEMBL4696895 0.88 DGKA (0.38) NAAAGAAALDH1A1KMT2AMEN1
SCHEMBL15583436 0.87 GAA (0.36) NAAAGAAALDH1A1CYP1A2HPGD
SCHEMBL13541624 0.85 ALDH1A1 (0.42) NAAAALDH1A1CYP1A2HPGDCYP2C19
SCHEMBL4698358 0.85 PRKCA (0.39) NAAAGAAALDH1A1ALOX12PRKCA
SCHEMBL9910887 0.84 SMN1; SMN2 (0.38) NAAAHTTALDH1A1HPGDCYP2C19
SCHEMBL2037671 0.84 NAAA (0.42) NAAAALDH1A1KMT2APRKCASMN1; SMN2
SCHEMBL1949595 0.83 ALOX12 (0.38) NAAAHTTALDH1A1HPGDALOX12
SCHEMBL13748507 0.83 ALOX12 (0.38) NAAAHTTALDH1A1HPGDALOX12
SCHEMBL462793 0.83 ALDH1A1 (0.38) ALDH1A1CYP1A2HPGDCYP2C19KMT2A

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