SCHEMBL15840457

SCHEMBL15840457

CNCC(=O)N[C@H](C(N)=O)C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.43
MMP2 P08253 3/20 0.39
MMP1 P03956 2/20 0.39
MMP9 P14780 2/20 0.39
MMP14 P50281 2/20 0.39
MMP3 P08254 1/20 0.39
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
PLAU P00749 2/20 0.33
HPN P05981 2/20 0.33
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PSMB5 P28074 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGB1 P05556 1/20 0.33
ITGAV P06756 1/20 0.33
ITGA5 P08648 1/20 0.33
MEN1 O00255 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
SCHEMBL22906848 0.85 MMP2 (0.40) EPHX1MMP2MMP1MMP9MMP14
SCHEMBL23975499 0.80 TP53 (0.40) MMP2MMP1MMP9MMP14MMP3
SCHEMBL23975465 0.80 TP53 (0.40) MMP2MMP1MMP9MMP14MMP3
SCHEMBL26497836 0.79 EPHX1 (0.40) EPHX1MMP2MMP1MMP9MMP14
SCHEMBL27375418 0.79 DPP4 (0.41)
SCHEMBL27375447 0.78 MMP2 (0.53) EPHX1MMP2MMP1MMP9MMP14
SCHEMBL13295234 0.78 EPHX1 (0.50) EPHX1MMP2MMP1MMP9MMP14
SCHEMBL13711069 0.77 EPHX1 (0.54) EPHX1MMP2MMP1MMP9MMP14
SCHEMBL13711117 0.77 EPHX1 (0.54) EPHX1MMP2MMP1MMP9MMP14
SCHEMBL23470071 0.77 TP53 (0.52) ALDH1A1LMNACTSB

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
WO-2014095773-A1 PEPTIDES AS OXYTOCIN AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2014-06-26 WO disclosed