SCHEMBL8769052

SCHEMBL8769052

O=C(O)CC(NCC(O)CN[C@@H](CC(=O)O)C(=O)O)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.52
GABRR1 P24046 2/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
GPR84 Q9NQS5 3/20 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
SCHEMBL2130208 1.00 SLC22A6 (0.52) SLC22A6GABRR1LMNASMN1; SMN2CA2
SCHEMBL2907101 1.00 SLC22A6 (0.52) SLC22A6GABRR1LMNASMN1; SMN2CA2
SCHEMBL6009823 0.90 SLC22A6 (0.46) SLC22A6GABRR1LMNASMN1; SMN2CA2
SCHEMBL6009828 0.90 SLC22A6 (0.46) SLC22A6GABRR1LMNASMN1; SMN2CA2
SCHEMBL18905040 0.89 SLC22A6 (0.41) SLC22A6GABRR1LMNASMN1; SMN2CA2
SCHEMBL5022913 0.89 SLC22A6 (0.41) SLC22A6GABRR1LMNASMN1; SMN2CA2
SCHEMBL7860337 0.88 GABRR1 (0.59) SLC22A6GABRR1LMNASMN1; SMN2CA2
SCHEMBL6234365 0.86 SMN1; SMN2 (0.42) SLC22A6GABRR1LMNASMN1; SMN2CA2
SCHEMBL6234376 0.86 SMN1; SMN2 (0.42) SLC22A6GABRR1LMNASMN1; SMN2CA2
SCHEMBL3846087 0.86 SLC22A6 (0.39) SLC22A6GABRR1LMNASMN1; SMN2CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0687292-B1 DETERGENT COMPOSITIONS CONTAINING ETHYLENEDIAMINE-N,N'-DIGLUTARIC ACID OR 2-HYDROXYPROPYLENEDIAMINE-N,N'-DISUCCINIC ACID PROCTER & GAMBLE (US) 1997-09-10 EP disclosed
US-5531915-A DETERSIVE SURFACTANTS, CHELATE COMPOUNDS AND BUILDERS THE PROCTER & GAMBLE COMPANY (US) 1996-07-02 US disclosed
EP-0687292-A1 DETERGENT COMPOSITIONS CONTAINING ETHYLENEDIAMINE-N,N'-DIGLUTARIC ACID OR 2-HYDROXYPROPYLENEDIAMINE-N,N'-DISUCCINIC ACID PROCTER & GAMBLE (US) 1995-12-20 EP disclosed
WO-1994020599-A1 DETERGENT COMPOSITIONS CONTAINING ETHYLENEDIAMINE-N,N'-DIGLUTARIC ACID OR 2-HYDROXYPROPYLENEDIAMINE-N,N'-DISUCCINIC ACID THE PROCTER & GAMBLE COMPANY (US) 1994-09-15 WO disclosed