SCHEMBL4696869

SCHEMBL4696869

CC(=O)OCCCCOC(=O)ON1C(=O)CCC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
LMNA P02545 1/20 0.36
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
ALOX12 P18054 1/20 0.34
CHRM5 P08912 3/20 0.32
CHRM1 P11229 3/20 0.32
CHRM3 P20309 3/20 0.32
CHRM2 P08172 2/20 0.32
CHRM4 P08173 2/20 0.32
PGR P06401 1/20 0.32
HTR1A P08908 1/20 0.32
CHRNB2 P17787 1/20 0.32
TBXA2R P21731 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CHRNA10 Q9GZZ6 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
SCHEMBL15218253 0.93 ALDH1A1 (0.38) ALDH1A1LMNACHRM5CHRM1CHRM3
SCHEMBL1949595 0.90 ALOX12 (0.38) ALDH1A1ALOX12SMN1; SMN2TSHRPRKCA
SCHEMBL13748507 0.90 ALOX12 (0.38) ALDH1A1ALOX12SMN1; SMN2TSHRPRKCA
SCHEMBL11989428 0.89 ALDH1A1 (0.43) ALDH1A1CHRM5CHRM1CHRM3CHRM2
SCHEMBL1280224 0.88 ALOX12 (0.37) ALDH1A1ALOX12SMN1; SMN2TSHR
SCHEMBL2037671 0.87 NAAA (0.42) ALDH1A1LMNASMN1; SMN2TSHRPRKCA
SCHEMBL12103952 0.86 ALDH1A1 (0.33) ALDH1A1CHRM5CHRM1CHRM3CHRM2
SCHEMBL22919640 0.85 NAAA (0.44) ALDH1A1LMNASMN1; SMN2TSHRPRKCA
SCHEMBL7278773 0.85 NAAA (0.44) ALDH1A1LMNASMN1; SMN2TSHRPRKCA
SCHEMBL13541624 0.85 ALDH1A1 (0.42) ALDH1A1LMNASMN1; SMN2TSHR

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