SCHEMBL7105130

SCHEMBL7105130

O=C(O)[C@H](CS(=O)(=O)O)NCCOS(=O)(=O)O

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
ENPEP Q07075 2/20 0.32
GGT1 P19440 1/20 0.30

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
SCHEMBL7105125 1.00 FNTA (0.34) FNTAFNTBENPEPGGT1
SCHEMBL142364 0.83 GGT1 (0.36) ENPEPGGT1
SCHEMBL142363 0.83 GGT1 (0.36) ENPEPGGT1
SCHEMBL7105092 0.83 FNTA (0.37) FNTAFNTBENPEP
SCHEMBL7103795 0.80 ECE1 (0.39) FNTAFNTBGGT1
SCHEMBL7100307 0.80 FOLH1 (0.44) FNTAFNTB
SCHEMBL7104752 0.76 ADRB2 (0.31)
SCHEMBL7104756 0.76 ADRB2 (0.31)
SCHEMBL28418756 0.74 NOD1 (0.45) FNTAFNTB
SCHEMBL6943387 0.72 FOLH1 (0.32) ENPEP

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-1045827-B1 METHOD FOR PRODUCING (S,S)-N,N'-ETHYLENEDIAMINE DISUCCINIC ACID, ANALOGOUS COMPOUNDS OR SALTS THEREOF BASF AG (DE) 2003-09-10 EP claimed