SCHEMBL4738904

SCHEMBL4738904

COC(=O)N(C(CCCCN)C(=O)O)C1c2ccccc2-c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPOR P19235 4/20 0.42
ANPEP P15144 1/20 0.38
F2 P00734 2/20 0.37
MMP2 P08253 2/20 0.36
MMP9 P14780 1/20 0.36
TP53 P04637 1/20 0.36
MDM2 Q00987 1/20 0.36
TLR2 O60603 2/20 0.35
CYP1A2 P05177 1/20 0.35
TSHR P16473 1/20 0.35
DPP7 Q9UHL4 1/20 0.34
LTA4H P09960 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
SCHEMBL5548812 1.00 EPOR (0.42) EPORANPEPF2MMP2MMP9
SCHEMBL8893033 0.94 CYP1A2 (0.37) EPORCYP1A2TSHR
SCHEMBL8892535 0.94 CYP1A2 (0.37) EPORCYP1A2TSHR
Trifluoroacetic Acid SCHEMBL4359902 0.94 EPOR (0.38) EPORANPEPF2MMP2MMP9
Trifluoroacetic Acid SCHEMBL4355575 0.91 EPOR (0.36) EPORANPEPF2TLR2DPP7
SCHEMBL25182246 0.91 PRSS1 (0.37) TLR2
SCHEMBL25179548 0.89 CYP1A2 (0.34) EPORCYP1A2TSHR
SCHEMBL1000116 0.89 BCHE (0.37) CYP1A2TSHR
SCHEMBL1000114 0.89 BCHE (0.37) CYP1A2TSHR
SCHEMBL8158096 0.89 BCHE (0.37) CYP1A2TSHR

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
WO-2008089487-A2 CARBOXYETHYLPYRROLE COMPOUNDS AND METHODS OF THEIR PRODUCTION THE CLEVELAND CLINIC FOUNDATION (US) 2008-07-24 WO disclosed
WO-2008089485-A2 CARBOXYETHYLPYRROLE COMPOUNDS AND METHODS OF THEIR PRODUCTION THE CLEVELAND CLINIC FOUNDATION (US) 2008-07-24 WO disclosed