SCHEMBL27520134

SCHEMBL27520134

O=C(O)CC(Oc1ccccc1)c1ccccc1.[CaH2]

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.49
ALOX15 P16050 1/20 0.47
GABBR2 O75899 1/20 0.46
GABBR1 Q9UBS5 1/20 0.46
SLC6A9 P48067 5/20 0.44
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FFAR1 O14842 5/20 0.43
CYP2C19 P33261 1/20 0.42

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
SCHEMBL5484588 0.98 SLC6A4 (0.50) SLC6A4ALOX15GABBR2GABBR1SLC6A9
SCHEMBL1582685 0.86 SLC6A9 (0.56) SLC6A4SLC6A9FFAR1
SCHEMBL21391835 0.84 SLC6A4 (0.60) SLC6A4KMT2ASMN1; SMN2FFAR1
SCHEMBL18228719 0.84 SLC6A4 (0.60) SLC6A4KMT2ASMN1; SMN2FFAR1
SCHEMBL18228682 0.84 SLC6A4 (0.60) SLC6A4KMT2ASMN1; SMN2FFAR1
SCHEMBL10603027 0.84 SLC6A4 (0.51) SLC6A4SLC6A9KMT2AFFAR1
SCHEMBL9365996 0.81 PPARA (0.56) SLC6A4SLC6A9FFAR1
SCHEMBL18628041 0.81 SLC6A4 (0.45) SLC6A4ALOX15SLC6A9KMT2A
SCHEMBL18228723 0.79 SLC6A4 (0.56) SLC6A4SLC6A9FFAR1
SCHEMBL21959494 0.79 SLC6A4 (0.56) SLC6A4SLC6A9FFAR1

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
CN-1315856-A Therapeutic methods employing disulfide derivatives of dithiocarbamates and compositions useful therefor MEDINOX INC (US) 2001-10-03 CN disclosed
CN-1230178-A Polydithiocarbamate-containing macromolecules and use thereof for therapeutic and diagnostic applications MEDINOX INC (US) 1999-09-29 CN disclosed
CN-1228697-A Method for in vivo reduction of iron levels and compositions useful therefor MEDINOX INC (US) 1999-09-15 CN disclosed