SCHEMBL4697175

SCHEMBL4697175

NC(C(=O)OCOC(=O)c1ccccc1)C1(C(=O)O)CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
TDP1 Q9NUW8 2/20 0.40
MAPK1 P28482 2/20 0.39
GAA P10253 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 3/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A3 Q01959 2/20 0.39
HIF1A Q16665 1/20 0.39
SLC1A5 Q15758 1/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
SLC6A4 P31645 1/20 0.37
MEN1 O00255 2/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL6204613 0.80 SLC1A3 (0.43) ALDH1A1TDP1MAPK1KMT2ASLC6A2
SCHEMBL4697046 0.80 LMNA (0.41) ALDH1A1POLBKMT2ASLC6A2SLC6A3
SCHEMBL4700964 0.79 LMNA (0.39) ALDH1A1MAPK1GAANPSR1POLB
SCHEMBL4699725 0.78 LMNA (0.39) ALDH1A1MAPK1GAANPSR1POLB
SCHEMBL4699470 0.77 LMNA (0.38) ALDH1A1MAPK1GAANPSR1POLB
Hydrochloric Acid SCHEMBL10871469 0.74 ALDH1A1 (0.50) ALDH1A1TDP1MAPK1GAAKMT2A
SCHEMBL4699779 0.74 PRKCA (0.30)
SCHEMBL28875175 0.72 TDP1 (0.68) ALDH1A1TDP1MAPK1GAAKMT2A
SCHEMBL51601 0.72 TDP1 (0.68) ALDH1A1TDP1MAPK1GAAKMT2A
SCHEMBL1713120 0.69 TDP1 (0.50) ALDH1A1TDP1MAPK1GAANPSR1

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 claimed
WO-2007002013-A2 ACYLOXYALKYL CARBAMATE PRODRUGS OF TRANEXAMIC ACID, METHODS OF SYNTHESIS AND USE XENOPORT, INC. (US) 2007-01-04 WO claimed