SCHEMBL4700964

SCHEMBL4700964

CCC(OC(=O)c1ccccc1)OC(=O)C(N)C1(C(=O)O)CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
SCN1A P35498 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN3A Q9NY46 1/20 0.39
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPSR1 Q6W5P4 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
ALDH1A1 P00352 1/20 0.34
POLB P06746 2/20 0.34

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
SCHEMBL4699470 0.91 LMNA (0.38) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL4697046 0.84 LMNA (0.41) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL4699725 0.82 LMNA (0.39) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL4698409 0.81 PPARA (0.31) PPARA
SCHEMBL4696416 0.80 PPARA (0.30) PPARA
SCHEMBL4697175 0.79 ALDH1A1 (0.41) LMNACYP1A2CYP2D6SLC6A2SLC6A4
SCHEMBL4700106 0.78 PRKCA (0.31)
SCHEMBL4696952 0.78
SCHEMBL416565 0.76 TSHR (0.57) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL4756193 0.76 LMNA (0.36) LMNACYP1A2CYP2D6SCN1ASCN2A

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