SCHEMBL8533806

SCHEMBL8533806

CCCCCC([Na])(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.40
GAA P10253 1/20 0.39
EBP Q15125 1/20 0.38
KCNN4 O15554 1/20 0.38
KIF11 P52732 3/20 0.36
LTA4H P09960 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ATM Q13315 1/20 0.36
LMNA P02545 1/20 0.36
SCN5A Q14524 3/20 0.36
SCN9A Q15858 3/20 0.36

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
SCHEMBL2125552 0.79 KCNN4 (0.41) KCNN4KIF11
SCHEMBL3835118 0.78 KIF11 (0.59) SIGMAR1GAAKIF11SCN5ASCN9A
SCHEMBL5180404 0.78 SIGMAR1 (0.42) SIGMAR1GAAEBPKCNN4KIF11
SCHEMBL7781763 0.78 ESR1 (0.55) SIGMAR1GAAEBPKCNN4KIF11
SCHEMBL6661939 0.78 SIGMAR1 (0.40) SIGMAR1GAAEBPMEN1KMT2A
SCHEMBL8978824 0.77 ESR1 (0.53) SIGMAR1GAAEBPMEN1KMT2A
SCHEMBL6689783 0.77 SIGMAR1 (0.41) SIGMAR1GAAEBPKCNN4KIF11
SCHEMBL1538299 0.77 SIGMAR1 (0.41) SIGMAR1GAAEBPKCNN4KIF11
SCHEMBL3402192 0.77 KCNN4 (0.42) SIGMAR1GAAEBPKCNN4KIF11
SCHEMBL4740369 0.77 ESR1 (0.53) SIGMAR1GAAEBPMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5723559-A POLYMETHYL METHACRYLATE ELF ATOCHEM S.A. (FR) 1998-03-03 US disclosed
US-5629393-A METAL-HYDROCARBON, METAL ALCOHOLATE ELF ATOCHEM S.A. (FR) 1997-05-13 US disclosed
EP-0402219-B1 Process and anionic polymerisation catalyst for acrylic monomers ATOCHEM ELF SA (FR) 1995-04-12 EP disclosed
WO-1990015084-A1 INITIATING PROCESS AND SYSTEM FOR THE ANIONIC POLYMERISATION OF ACRYLIC MONOMERS ATOCHEM (FR) 1990-12-13 WO disclosed
EP-0402219-A1 Process and anionic polymerisation catalyst for acrylic monomers ELF ATOCHEM S.A. (FR) 1990-12-12 EP disclosed