SCHEMBL4698353

SCHEMBL4698353

CC(C)CC(=O)OCOC(=O)NCC1(C(=O)O)CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.37
MME P08473 3/20 0.33
PTPN1 P18031 1/20 0.32
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
MMP13 P45452 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL4697171 0.86 CYP2C19 (0.39) CYP2C19MME
SCHEMBL4699776 0.79 CYP2C19 (0.38) CYP2C19
SCHEMBL8221238 0.74 CYP2C19 (0.36) CYP2C19MME
SCHEMBL2146895 0.73 CYP2C19 (0.38) CYP2C19MME
Bicarbonate SCHEMBL3255903 0.73 CYP2D6 (0.42) MMP1MMP2MMP3MMP9
SCHEMBL5032098 0.72 ACHE (0.46) CYP2C19
SCHEMBL6803134 0.72 EPHX1 (0.42) CYP2C19
SCHEMBL4699364 0.70 CYP2C19 (0.38) CYP2C19
SCHEMBL4699363 0.70 CYP2C19 (0.35) CYP2C19MME
SCHEMBL9543283 0.70 CYP2C19 (0.50) CYP2C19MME

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-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
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