SCHEMBL5022765

SCHEMBL5022765

O=C(O)CNCCCNC(CC(=O)O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
GNPAT O15228 1/20 0.36
FOLH1 Q04609 2/20 0.33
RIMKLA Q8IXN7 1/20 0.33
NAALAD2 Q9Y3Q0 1/20 0.33
EPHX2 P34913 2/20 0.33
TDP1 Q9NUW8 1/20 0.32
CASP1 P29466 1/20 0.32
TSHR P16473 1/20 0.32
GGT1 P19440 2/20 0.32
LTA4H P09960 1/20 0.32
MME P08473 1/20 0.32

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
SCHEMBL8656432 0.95 EPHX2 (0.37) CA2CA4GNPATFOLH1RIMKLA
SCHEMBL5015012 0.89 CA2 (0.38) CA2CA4GNPATFOLH1RIMKLA
SCHEMBL2907971 0.88 CA2 (0.42) CA2CA4GNPATFOLH1RIMKLA
SCHEMBL2129750 0.88 CA2 (0.42) CA2CA4GNPATFOLH1RIMKLA
SCHEMBL5014950 0.87 FOLH1 (0.36) CA2CA4GNPATFOLH1RIMKLA
SCHEMBL23248621 0.87 CA2 (0.37) CA2CA4GNPATFOLH1RIMKLA
SCHEMBL8935945 0.87 CA2 (0.37) CA2CA4GNPATFOLH1RIMKLA
SCHEMBL6544634 0.84 CA2 (0.42) CA2CA4GNPATEPHX2TDP1
SCHEMBL8658149 0.84 CA2 (0.35) CA2CA4GNPATTDP1TSHR
SCHEMBL8660075 0.84 CA2 (0.35) CA2CA4GNPATTDP1TSHR

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-20080115423-A1 Polishing Composition For Silicon Wafer NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2008-05-22 US disclosed