SCHEMBL934336

SCHEMBL934336

C=CC(=O)NCCC(=O)O.C=CC(=O)N[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FNTA P49354 2/20 0.42
FNTB P49356 2/20 0.42
TGM2 P21980 8/20 0.39
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
EPHX2 P34913 2/20 0.37
ZDHHC20 Q5W0Z9 1/20 0.37
ZDHHC2 Q9UIJ5 1/20 0.37
FOLH1 Q04609 1/20 0.36
RIMKLA Q8IXN7 1/20 0.36
NAALAD2 Q9Y3Q0 1/20 0.36

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
SCHEMBL433365 0.87 CA2 (0.47) FNTAFNTBCA2CA4ALDH1A1
SCHEMBL433364 0.87 CA2 (0.47) FNTAFNTBCA2CA4ALDH1A1
Acrylic Acid SCHEMBL10532666 0.83 CA2 (0.44) FNTAFNTBCA2CA4TSHR
SCHEMBL35714 0.81 TSHR (0.54) TGM2ALDH1A1TSHRMAPK1TDP1
SCHEMBL9382037 0.76 FOLH1 (0.62) FNTAFNTBFOLH1RIMKLANAALAD2
SCHEMBL5437088 0.76 FOLH1 (0.62) FNTAFNTBFOLH1RIMKLANAALAD2
SCHEMBL5437090 0.76 FOLH1 (0.62) FNTAFNTBFOLH1RIMKLANAALAD2
SCHEMBL8177335 0.76 TGM2 (0.55) TGM2ALDH1A1TSHRMAPK1TDP1
SCHEMBL15361783 0.75 FOLH1 (0.60) FNTAFNTBFOLH1RIMKLANAALAD2
SCHEMBL14601343 0.74 TGM2 (0.60) TGM2ZDHHC20ZDHHC2FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2313183-A1 LIGAND FUNCTIONALIZED SUBSTRATES 3M Innovative Properties Company (US) 2011-04-27 EP disclosed
WO-2009146321-A9 LIGAND FUNCTIONALIZED SUBSTRATES 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-01-13 WO disclosed
WO-2009146321-A1 LIGAND FUNCTIONALIZED SUBSTRATES 3M INNOVATIVE PROPERTIES COMPANY (US) 2009-12-03 WO disclosed