SCHEMBL6944554

SCHEMBL6944554

O=C(O)C[C@@H](C(=O)O)N(CC(O)CS(=O)(=O)O)CC(O)CS(=O)(=O)O

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
GABRR1 P24046 2/20 0.31
LMNA P02545 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL26122888 0.92 SLC22A6 (0.32) SLC22A6SMN1; SMN2
SCHEMBL7777306 0.78 SLC22A6 (0.41) SLC22A6SMN1; SMN2GABRR1LMNATDP1
SCHEMBL18837936 0.75 SLC22A6 (0.57) SLC22A6SMN1; SMN2GABRR1LMNATDP1
SCHEMBL16390622 0.73
SCHEMBL16390625 0.73
SCHEMBL7775608 0.72 SMN1; SMN2 (0.39) SLC22A6SMN1; SMN2GABRR1LMNATDP1
SCHEMBL6939324 0.71 APP (0.34) SMN1; SMN2TDP1
SCHEMBL15104832 0.71 TDP1 (0.39) SLC22A6LMNATDP1
SCHEMBL9175298 0.71 TDP1 (0.39) SLC22A6LMNATDP1
SCHEMBL28351660 0.70 SLC22A6 (0.32) SLC22A6

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-0772771-B2 DETERMINING BIODEGRADABILITY OF ASPARTIC ACID DERIVATIVES, DEGRADABLE CHELANTS, USES AND COMPOSITIONS THEREOF DOW CHEMICAL CO (US) 2003-12-17 EP disclosed
EP-0772771-B1 DETERMINING BIODEGRADABILITY OF ASPARTIC ACID DERIVATIVES, DEGRADABLE CHELANTS, USES AND COMPOSITIONS THEREOF DOW CHEMICAL CO (US) 2000-03-15 EP disclosed
EP-0959352-A1 Determining biodegradability of aspartic acid derivatives, degradable chelants, uses and compositions thereof THE DOW CHEMICAL COMPANY (US) 1999-11-24 EP disclosed