SCHEMBL3258479

SCHEMBL3258479

CC(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 2/20 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 0.41
CD274 Q9NZQ7 1/20 0.41
NPC1 O15118 3/20 0.40
HTT P42858 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 2/20 0.40
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.38
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 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
SCHEMBL914466 1.00 LMNA (0.41) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL915409 0.90 LMNA (0.40) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL4702472 0.88 SLC6A4 (0.40) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL915908 0.88 SLC6A4 (0.40) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL4698354 0.85 LMNA (0.41) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL915912 0.85 LMNA (0.41) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL915158 0.85 SMN1; SMN2 (0.39) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL916221 0.83 LMNA (0.40) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL4696942 0.83 LMNA (0.40) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL915150 0.81 ANPEP (0.35) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1919859-B1 ACYLOXYALKYL CARBAMATE PRODRUGS OF TRANEXAMIC ACID AND USE XENOPORT INC (US) 2010-06-02 EP claimed
WO-2011028234-A1 USES OF ACYLOXYALKYL CARBAMATE PRODRUGS OF TRANEXAMIC ACID XENOPORT, INC. (US) 2011-03-10 WO 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