SCHEMBL8658149

SCHEMBL8658149

O=C(O)CC(NCCCNCCO)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
GNPAT O15228 1/20 0.32
MME P08473 4/20 0.32
TSHR P16473 1/20 0.32
GGT1 P19440 2/20 0.31
KDM4E B2RXH2 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
NPC1 O15118 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
SCHEMBL8658190 0.95 CA2 (0.34) CA2CA4GNPATMMEKDM4E
SCHEMBL8660075 0.93 CA2 (0.35) CA2CA4GNPATMMETSHR
SCHEMBL8660403 0.89 CA2 (0.37) CA2CA4GNPATMMEGGT1
SCHEMBL8655898 0.88 CA2 (0.34) CA2CA4GNPATMMETDP1
SCHEMBL2129750 0.87 CA2 (0.42) CA2CA4GNPATMMETSHR
SCHEMBL2907971 0.87 CA2 (0.42) CA2CA4GNPATMMETSHR
SCHEMBL5014950 0.86 FOLH1 (0.36) CA2CA4GNPAT
SCHEMBL8657065 0.86 CA2 (0.35) CA2CA4GNPATMMEGGT1
SCHEMBL2910205 0.85 CA2 (0.39) CA2CA4GNPATMMETSHR
SCHEMBL2910202 0.85 CA2 (0.39) CA2CA4GNPATMMETSHR

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
EP-0871695-A2 POLYAMINO MONOSUCCINIC ACID DERIVATIVE DEGRADABLE CHELANTS, USES AND COMPOSITIONS THEREOF THE DOW CHEMICAL COMPANY (US) 1998-10-21 EP disclosed
WO-1997008287-A2 POLYAMINO MONOSUCCINIC ACID DERIVATIVE DEGRADABLE CHELANTS, USES AND COMPOSITIONS THEREOF THE DOW CHEMICAL COMPANY (US) 1997-03-06 WO disclosed