SCHEMBL4698152

SCHEMBL4698152

O=C(OCCCCOC(=O)c1ccccc1)ON1C(=O)CCC1=O

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.61
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALOX12 P18054 1/20 0.44
BCHE P06276 2/20 0.44
SCN1A P35498 1/20 0.43
SCN2A Q99250 1/20 0.43
SCN3A Q9NY46 1/20 0.43
KMT2A Q03164 3/20 0.42
MGLL Q99685 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MAPK1 P28482 1/20 0.41
HIF1A Q16665 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41

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
SCHEMBL4702445 0.97 TDP1 (0.57) TDP1LMNASMN1; SMN2ALOX12BCHE
SCHEMBL3106205 0.94 TDP1 (0.51) TDP1LMNASMN1; SMN2ALOX12KMT2A
SCHEMBL20990655 0.88 TDP1 (0.45) TDP1LMNASMN1; SMN2SCN1ASCN2A
SCHEMBL915835 0.86 TDP1 (0.44) TDP1LMNASMN1; SMN2KMT2AMGLL
SCHEMBL1949595 0.82 ALOX12 (0.38) SMN1; SMN2ALOX12MGLL
SCHEMBL13748507 0.82 ALOX12 (0.38) SMN1; SMN2ALOX12MGLL
SCHEMBL1280224 0.80 ALOX12 (0.37) SMN1; SMN2ALOX12MGLL
SCHEMBL4699911 0.80 ALDH1A1 (0.47) TDP1LMNASMN1; SMN2KMT2AMGLL
SCHEMBL4066802 0.79 KMT2A (0.48) TDP1LMNASMN1; SMN2ALOX12KMT2A
SCHEMBL19309377 0.78 KMT2A (0.53) TDP1LMNASMN1; SMN2ALOX12KMT2A

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