SCHEMBL4698354

SCHEMBL4698354

CCC(OC(=O)c1ccccc1)OC(=O)C(N)C1CCC(C(=O)O)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
SCN1A P35498 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN3A Q9NY46 1/20 0.41
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
ALDH1A1 P00352 4/20 0.37
NPC1 O15118 2/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
POLB P06746 1/20 0.36
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
GAA P10253 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35

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
SCHEMBL915912 1.00 LMNA (0.41) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL916221 0.91 LMNA (0.40) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL4696942 0.91 LMNA (0.40) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL914466 0.85 LMNA (0.41) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL3258479 0.85 LMNA (0.41) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL4702472 0.83 SLC6A4 (0.40) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL915908 0.83 SLC6A4 (0.40) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL916188 0.82 ANPEP (0.35) LMNA
SCHEMBL3256826 0.82 ANPEP (0.35) LMNA
SCHEMBL915721 0.81 ANPEP (0.34) LMNA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101253148-B Acyloxyalkyl carbamate prodrugs of tranexamic acid, methods of synthesis and use XENOPORT INC 2013-01-02 CN claimed
CN-101253148-A Acyloxyalkyl carbamate prodrugs of tranexamic acid, methods of synthesis and use XENOPORT INC (US) 2008-08-27 CN claimed
CN-101253148-B Acyloxyalkyl carbamate prodrugs of tranexamic acid, methods of synthesis and use XENOPORT INC 2013-01-02 CN disclosed
WO-2011028234-A1 USES OF ACYLOXYALKYL CARBAMATE PRODRUGS OF TRANEXAMIC ACID XENOPORT, INC. (US) 2011-03-10 WO disclosed
CN-101253148-A Acyloxyalkyl carbamate prodrugs of tranexamic acid, methods of synthesis and use XENOPORT INC (US) 2008-08-27 CN disclosed
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