Magnesium Chloride Anhydrous

Magnesium Chloride Anhydrous

SCHEMBL27958970

Cl[Mg]Cl.[c]1cccc(Oc2ccccc2)c1

nearest known ligand 0.48

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 7/20 0.48
TSHR P16473 1/20 0.48
NR1H2 P55055 1/20 0.39
BAX Q07812 1/20 0.39
MAOA P21397 1/20 0.39
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
MAOB P27338 1/20 0.35
GSTP1 P09211 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SOS1 Q07889 1/20 0.33
CA9 Q16790 1/20 0.33
PARP10 Q53GL7 1/20 0.33
PLA2G2A P14555 1/20 0.33
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
NLRP3 Q96P20 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
SCHEMBL61732 0.92 LTA4H (0.57) LTA4HTSHRNR1H2BAXMAOA
SCHEMBL27493063 0.90 LTA4H (0.50) LTA4HTSHRNR1H2BAXMAOA
SCHEMBL28072263 0.90 LTA4H (0.55) LTA4HTSHRNR1H2BAXMAOA
SCHEMBL27958951 0.88 LTA4H (0.48) LTA4HTSHRNR1H2BAXMAOA
SCHEMBL8155454 0.85 LTA4H (0.43) LTA4HTSHRNR1H2BAXMAOA
SCHEMBL9261806 0.84 MAOB (0.48) LTA4HTSHRNR1H2BAXMAOA
SCHEMBL28263208 0.82 LTA4H (0.46) LTA4HTSHRNR1H2BAXMAOA
SCHEMBL9450784 0.81 LTA4H (0.42) LTA4HTSHRNR1H2BAXMAOA
Magnesium Chloride Anhydrous SCHEMBL28223599 0.81 LTA4H (0.55) LTA4HTSHRNR1H2BAXMAOA
SCHEMBL511009 0.80 MAOA (0.47) LTA4HTSHRMAOAMAOBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103755554-B Novel method for asymmetric catalytic synthesis of (S)-fenoprofen UNIV CHINA AGRICULTURAL 2015-02-18 CN claimed
CN-103755554-A Novel method for asymmetric catalytic synthesis of (S)-fenoprofen UNIV CHINA AGRICULTURAL 2014-04-30 CN claimed