SCHEMBL1361329

SCHEMBL1361329

CC(C)[Zr+3].CCCCCCCCCCCCc1ccccc1CS(=O)(=O)[O-].CCCCCCCCCCCCc1ccccc1CS(=O)(=O)[O-].CCCCCCCCCCCCc1ccccc1CS(=O)(=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.45
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
CYSLTR2 Q9NS75 6/20 0.41
CYSLTR1 Q9Y271 6/20 0.41
CA2 P00918 1/20 0.41
PTPN1 P18031 1/20 0.40
KCNH2 Q12809 6/20 0.40
BID P55957 1/20 0.39
BCL2L1 Q07817 1/20 0.39
MCL1 Q07820 1/20 0.39
BAK1 Q16611 1/20 0.39

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
SCHEMBL194470 0.91 LIPG (0.50) LIPGNR1H2NR1H3KCNH2BID
SCHEMBL4773210 0.91 LIPG (0.50) LIPGNR1H2NR1H3KCNH2BID
SCHEMBL11790246 0.91 LIPG (0.50) LIPGNR1H2NR1H3KCNH2BID
SCHEMBL6322631 0.91 LIPG (0.50) LIPGNR1H2NR1H3CYSLTR2CYSLTR1
Tetramethylammonium Ion SCHEMBL5605394 0.88 LIPG (0.47) LIPGNR1H2NR1H3KCNH2BID
Tetrabuthylammonium SCHEMBL5605702 0.85 LIPG (0.45) LIPGNR1H2NR1H3KCNH2BID
Tetrylammonium SCHEMBL5605834 0.85 LIPG (0.45) LIPGNR1H2NR1H3CYSLTR2CYSLTR1
SCHEMBL7750894 0.82 LIPG (0.43) LIPGNR1H2NR1H3CYSLTR2CYSLTR1
Isopropylamine SCHEMBL9812410 0.78 S1PR2 (0.50) LIPGCYSLTR2CYSLTR1BIDBCL2L1
SCHEMBL7569431 0.78 LIPG (0.54) LIPGNR1H2NR1H3CYSLTR2CYSLTR1

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
US-8067508-B2 Compositions consisting of partially silyl-terminated polymers HENKEL AG & CO. KGAA (DE) 2011-11-29 US disclosed
US-20100081757-A1 COMPOSITIONS CONSISTING OF PARTIALLY SILYL-TERMINATED POLYMERS HENKEL AG & CO. KGAA (DE) 2010-04-01 US disclosed