SCHEMBL18155871

SCHEMBL18155871

NCCC(=O)NCCOCCOCCOCCO

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.42
CA12 O43570 4/20 0.42
CA1 P00915 4/20 0.42
CA4 P22748 4/20 0.42
CA9 Q16790 4/20 0.42
CA14 Q9ULX7 4/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 3/20 0.37
MAPK1 P28482 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
TLR2 O60603 2/20 0.36
GAA P10253 1/20 0.36
LMNA P02545 2/20 0.36
NAAA Q02083 1/20 0.34

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
SCHEMBL21415394 0.89 CA2 (0.44) CA2CA12CA1CA4CA9
SCHEMBL4270081 0.86 TSHR (0.46) CA2CA12CA1CA4CA9
SCHEMBL19455426 0.86 GAA (0.45) CA2CA12CA1CA4CA9
SCHEMBL23822616 0.85 CA2 (0.42) CA2CA12CA1CA4CA9
SCHEMBL24976899 0.85 CA2 (0.47) CA2CA12CA1CA4CA9
SCHEMBL16983217 0.85 TSHR (0.38) CA2CA12CA1CA4CA9
SCHEMBL19976490 0.85 CA2 (0.33) CA2CA12CA1CA4CA9
SCHEMBL19560737 0.84 NAAA (0.47) CA2CA12CA1CA4CA9
SCHEMBL14258541 0.84 GAA (0.50) CA2CA12CA1CA4CA9
SCHEMBL16329534 0.84 SMN1; SMN2 (0.46) CA2CA12CA1CA4CA9

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
EP-2901160-B1 METHOD FOR SPECIFICALLY DETECTING A MATRIX METALLOPROTEINASE (MMP) WHICH IS ONLY OF INTEREST IN THE ACTIVE FORM THEREOF, IN A SAMPLE COMMISSARIAT À L EN ATOMIQUE ET AUX EN ALTERNATIVES (FR) 2016-10-19 EP disclosed