SCHEMBL8893016

SCHEMBL8893016

O=C([O-])OO.O=C([O-])OO.O=C([O-])OO.O=C([O-])OO.O=C([O-])OO.O=C([O-])OO.O=C([O-])OO.O=C([O-])OO.O=C([O-])OO.[Al+3].[Al+3].[Mg+2].[Na+]

nearest known ligand 0.40

Known targets — ChEMBL curated mechanism

ATP4AATP4BGABBR1GABBR2HMGCR

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA4 P22748 3/20 0.40
FAHD1 Q6P587 1/20 0.40
CA1 P00915 2/20 0.38
MEN1 O00255 1/20 0.33
LDHA P00338 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.32
CASP1 P29466 1/20 0.32

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
SCHEMBL251495 0.96 CA1 (0.33) CA4FAHD1CA1
SCHEMBL678901 0.96 CA4 (0.43) CA4FAHD1CA1MEN1LDHA
SCHEMBL8408155 0.92 CA1 (0.31) CA4FAHD1CA1
Zinc Ion SCHEMBL1697032 0.92 CA1 (0.31) CA4FAHD1CA1
SCHEMBL8766810 0.92 CA1 (0.31) CA4FAHD1CA1
Water SCHEMBL360484 0.92 CA1 (0.31) CA4FAHD1CA1
Water SCHEMBL8461126 0.92 CA1 (0.31) CA4FAHD1CA1
SCHEMBL23592 0.92 CA4 (0.36) CA4FAHD1CA1
SCHEMBL9639951 0.92 CA4 (0.46) CA4FAHD1CA1MEN1LDHA
SCHEMBL123336 0.92 CA4 (0.36) CA4FAHD1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997030138-A1 SELF-EXTINGUISHING CANDLES AND METHOD FOR THE PRODUCTION THEREOF EHRENBURG MARCUS L (CH) 1997-08-21 WO disclosed