SCHEMBL4699470

SCHEMBL4699470

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
SLC6A2 P23975 3/20 0.38
SLC6A3 Q01959 3/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 0.37
SCN1A P35498 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN3A Q9NY46 1/20 0.37
SLC6A4 P31645 2/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
POLB P06746 2/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL4700964 0.91 LMNA (0.39) LMNASLC6A2SLC6A3CYP1A2CYP2D6
SCHEMBL4756193 0.85 LMNA (0.36) LMNASLC6A2SLC6A3CYP1A2CYP2D6
SCHEMBL4697046 0.82 LMNA (0.41) LMNASLC6A2SLC6A3CYP1A2CYP2D6
SCHEMBL4699365 0.82
SCHEMBL4698385 0.82
SCHEMBL4701702 0.81
SCHEMBL4699725 0.81 LMNA (0.39) LMNASLC6A2SLC6A3CYP1A2CYP2D6
SCHEMBL926345 0.80 ALDH1A1 (0.30) ALDH1A1
SCHEMBL4701143 0.78 MMP1 (0.33)
SCHEMBL2013038 0.78 LMNA (0.55) LMNASLC6A2SLC6A3CYP1A2CYP2D6

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