SCHEMBL21271950

SCHEMBL21271950

CCNCP(=O)(O)CNCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 3/20 0.40
MMP2 P08253 3/20 0.40
MMP3 P08254 2/20 0.40
MMP9 P14780 2/20 0.40
MMP8 P22894 2/20 0.40
TP53 P04637 1/20 0.39
SAT1 P21673 1/20 0.38
USP2 O75604 1/20 0.33
ALOX15 P16050 1/20 0.33
S1PR2 O95136 5/20 0.32
S1PR4 O95977 5/20 0.32
S1PR1 P21453 5/20 0.32
S1PR3 Q99500 5/20 0.32
ANPEP P15144 1/20 0.32
S1PR5 Q9H228 1/20 0.32
GABBR2 O75899 2/20 0.32
GABBR1 Q9UBS5 2/20 0.32
CA2 P00918 2/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31

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
SCHEMBL21272153 0.85
SCHEMBL6567116 0.82
SCHEMBL21272059 0.81 S1PR2 (0.56) S1PR2S1PR4S1PR1S1PR3ANPEP
SCHEMBL21271948 0.78 ANPEP (0.48) MMP1MMP2MMP3MMP9MMP8
Diethylamine SCHEMBL320756 0.78 TP53 (0.57) MMP1MMP2MMP3MMP9MMP8
Diethylamine SCHEMBL1203507 0.78 TP53 (0.57) MMP1MMP2MMP3MMP9MMP8
Diethylamine SCHEMBL9484949 0.78 TP53 (0.57) MMP1MMP2MMP3MMP9MMP8
Diethylamine SCHEMBL29187214 0.78 TP53 (0.57) MMP1MMP2MMP3MMP9MMP8
Diethylamine SCHEMBL28374809 0.75 CA2 (0.53) MMP1MMP2MMP3MMP9MMP8
Diethylamine SCHEMBL29262325 0.75 TP53 (0.53) MMP1MMP2MMP3MMP9MMP8

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190256437-A1 Concentrated Liquid Compositions of Urease Inhibitors for Nitrogen Sources SOILGENIC TECHNOLOGIES, LLC 2019-08-22 US disclosed