SCHEMBL27778409

SCHEMBL27778409

Br[Mg]Br.CCCCCCCCOc1[c]ccc(CCCC)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.37
THRB P10828 2/20 0.37
SKP2 Q13309 1/20 0.36
MEN1 O00255 2/20 0.36
HTT P42858 2/20 0.36
KMT2A Q03164 2/20 0.36
PTGS2 P35354 2/20 0.36
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
RAD52 P43351 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
CNR1 P21554 3/20 0.34
CNR2 P34972 2/20 0.34
S1PR1 P21453 1/20 0.34
NR5A1 Q13285 1/20 0.34
TSHR P16473 1/20 0.34

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
Magnesium Chloride Anhydrous SCHEMBL27757421 0.91 THRA (0.37) THRATHRBMEN1HTTKMT2A
SCHEMBL27680870 0.88 SKP2 (0.39) THRATHRBSKP2MEN1HTT
SCHEMBL29280364 0.82 SKP2 (0.39) SKP2HTTNPC1SMN1; SMN2MAPT
SCHEMBL5068404 0.78 SKP2 (0.36) SKP2HTTPTGS2NPC1MAPK1
SCHEMBL11212743 0.77 PPARG (0.46) PTGS2PPARGPPARA
SCHEMBL27660874 0.77 TSHR (0.36) THRATHRBSMN1; SMN2MAPTMAPK1
SCHEMBL1012044 0.77 SKP2 (0.40) SKP2MEN1HTTKMT2APTGS2
SCHEMBL8407046 0.77 SKP2 (0.35) SKP2MEN1HTTKMT2ANPC1
SCHEMBL2092766 0.75 TSHR (0.50) NR5A1TSHR
SCHEMBL1452222 0.75 TSHR (0.50) NR5A1TSHR

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-101528673-B Method for producing asymmetric copper complex crystal SUMITOMO CO LTD 2012-08-01 CN disclosed
CN-101528673-A Method for producing asymmetric copper complex crystal SUMITOMO CHEMICAL CO (JP) 2009-09-09 CN disclosed