SCHEMBL5690748

SCHEMBL5690748

NCC(CC(=O)O)C(CC(=O)O)(CC(=O)O)NCC(=O)O.[Fe].[NaH].[NaH].[NaH].[NaH]

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.36
LMNA P02545 1/20 0.36
CACNA2D1 P54289 2/20 0.32
CACNB3 P54284 1/20 0.32
CACNA1C Q13936 1/20 0.32
PGR P06401 1/20 0.32
ADRA1A P35348 1/20 0.32
HTR2B P41595 1/20 0.32
CACNA2D2 Q9NY47 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GABBR2 O75899 1/20 0.30
GABBR1 Q9UBS5 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
Ammonia Solution, Strong SCHEMBL8078632 0.96 GABRR1 (0.36) GABRR1LMNACACNA2D1CACNB3CACNA1C
SCHEMBL6639635 0.96 GABRR1 (0.39) GABRR1LMNACACNA2D1CACNB3CACNA1C
Ammonia Solution, Strong SCHEMBL9133439 0.95 GABRR1 (0.38) GABRR1LMNACACNA2D1CACNB3CACNA1C
Water SCHEMBL8747201 0.95 GABRR1 (0.38) GABRR1LMNACACNA2D1CACNB3CACNA1C
Ammonia Solution, Strong SCHEMBL9153449 0.95 GABRR1 (0.38) GABRR1LMNACACNA2D1CACNB3CACNA1C
SCHEMBL8747255 0.84 GABRR1 (0.31) GABRR1LMNATDP1
SCHEMBL9810936 0.82 GABRR1 (0.32) GABRR1LMNA
SCHEMBL6551964 0.81 GABRR1 (0.35) GABRR1LMNACACNA2D1CACNB3CACNA1C
SCHEMBL4581476 0.80 GSR (0.37) GABRR1LMNAGABBR2GABBR1
SCHEMBL10324867 0.80 TDP1 (0.32) TDP1

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-1341036-B1 Concentrated color developer composition and processing method by use thereof KONICA CORP (JP) 2006-05-03 EP disclosed
EP-1341036-A1 Concentrated color developer composition and processing method by use thereof KONICA CORPORATION (JP) 2003-09-03 EP disclosed
EP-1333322-A2 Concentrated color developer composition used for silver halide photographic material and processing method by use thereof KONICA CORPORATION (JP) 2003-08-06 EP disclosed