SCHEMBL4697095

SCHEMBL4697095

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

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PRKCA P17252 14/20 0.39
ALOX12 P18054 1/20 0.32
BRD4 O60885 1/20 0.31
ENO1 P06733 1/20 0.30
CCNE1 P24864 1/20 0.30
CDK2 P24941 1/20 0.30
GSK3B P49841 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
SCHEMBL3253781 0.97 POLB (0.40) POLBGAANPSR1PRKCAENO1
SCHEMBL3106135 0.94 POLB (0.42) POLBGAANPSR1PRKCAENO1
SCHEMBL13748507 0.85 ALOX12 (0.38) PRKCAALOX12
SCHEMBL1949595 0.85 ALOX12 (0.38) PRKCAALOX12
SCHEMBL917159 0.84 ENO1 (0.36) POLBGAANPSR1PRKCAENO1
SCHEMBL1280224 0.84 ALOX12 (0.37) ALOX12
SCHEMBL2037671 0.83 NAAA (0.42) PRKCA
SCHEMBL4696869 0.83 ALDH1A1 (0.41) GAAPRKCAALOX12
SCHEMBL28508420 0.82 PPARA (0.40) ALOX12CCNE1CDK2GSK3B
SCHEMBL12045573 0.82 POLB (0.37) POLBGAANPSR1CCNE1CDK2

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