SCHEMBL19475787

SCHEMBL19475787

CCCCC(NCC)C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.50
CA1 P00915 4/20 0.50
TLR8 Q9NR97 1/20 0.41
DPP7 Q9UHL4 4/20 0.39
SLC15A1 P46059 1/20 0.39
MMP3 P08254 2/20 0.39
MAPK1 P28482 1/20 0.38
MMP9 P14780 1/20 0.37
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
EPHX1 P07099 1/20 0.36
DPP8 Q6V1X1 3/20 0.36
DPP4 P27487 2/20 0.36
DPP9 Q86TI2 2/20 0.36
NOD1 Q9Y239 1/20 0.35

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
SCHEMBL31520094 0.92 MMP3 (0.44) CA2CA1MMP3MMP9EPHX1
SCHEMBL31520085 0.92 MMP3 (0.44) CA2CA1MMP3MMP9EPHX1
SCHEMBL24040349 0.87 CA1 (0.39) CA2CA1TLR8DPP7MMP3
SCHEMBL12961905 0.87 CA1 (0.39) CA2CA1TLR8DPP7MMP3
SCHEMBL14819937 0.85 CA2 (0.42) CA2CA1DPP7SLC15A1MMP3
Hydrochloric Acid SCHEMBL8527464 0.84 FOLH1 (0.38) CA2CA1TLR8DPP7DPP8
SCHEMBL15834023 0.84 FOLH1 (0.45) CA1DPP7DPP8DPP9
SCHEMBL8976019 0.84 MMP3 (0.35) CA2CA1TLR8MMP3MMP9
SCHEMBL12743627 0.84 CA2 (0.47) CA2CA1TLR8DPP7SLC15A1
SCHEMBL6010230 0.82 CA1 (0.46) CA2CA1TLR8DPP7SLC15A1

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-2020081880-A1 COMPOSITIONS TARGETING SENESCENT CELLS AND THE USES THEREOF BIOVENTURES, LLC (US) 2020-04-23 WO disclosed
WO-2017184995-A1 COMPOUNDS THAT INDUCE DEGRADATION OF ANTI-APOPTOTIC BCL-2 FAMILY PROTEINS AND THE USES THEREOF BIOVENTURES, LLC (US) 2017-10-26 WO disclosed