SCHEMBL5027433

SCHEMBL5027433

CCCCCCCCc1ccccc1[I+]c1ccccc1CCCCCCCC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.56
NR1H2 P55055 1/20 0.46
NR1H3 Q13133 1/20 0.46
CYSLTR2 Q9NS75 4/20 0.45
CYSLTR1 Q9Y271 4/20 0.45
BID P55957 3/20 0.44
MCL1 Q07820 3/20 0.44
BCL2L1 Q07817 2/20 0.44
BAK1 Q16611 2/20 0.44
KAT8 Q9H7Z6 2/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
EP300 Q09472 1/20 0.44
KAT2A Q92830 1/20 0.44
KAT2B Q92831 1/20 0.44
KAT5 Q92993 1/20 0.44
SAE1 Q9UBE0 1/20 0.44
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
KCNH2 Q12809 2/20 0.42

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
SCHEMBL123866 1.00 LIPG (0.56) LIPGNR1H2NR1H3CYSLTR2CYSLTR1
SCHEMBL29470133 1.00 LIPG (0.56) LIPGNR1H2NR1H3CYSLTR2CYSLTR1
SCHEMBL11149596 1.00 LIPG (0.56) LIPGNR1H2NR1H3CYSLTR2CYSLTR1
Hydrochloric Acid SCHEMBL8180220 0.98 LIPG (0.55) LIPGNR1H2NR1H3CYSLTR2CYSLTR1
SCHEMBL5413206 0.93 LIPG (0.50) LIPGNR1H2NR1H3CYSLTR2CYSLTR1
SCHEMBL31477908 0.93 LIPG (0.50) LIPGNR1H2NR1H3CYSLTR2CYSLTR1
SCHEMBL29470149 0.93 LIPG (0.50) LIPGNR1H2NR1H3CYSLTR2CYSLTR1
SCHEMBL29584401 0.93 LIPG (0.50) LIPGNR1H2NR1H3CYSLTR2CYSLTR1
SCHEMBL29583738 0.93 LIPG (0.50) LIPGNR1H2NR1H3CYSLTR2CYSLTR1
SCHEMBL132626 0.93 LIPG (0.50) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0966503-B2 CURE-ON-DEMAND, MOISTURE-CURABLE COMPOSITIONS HAVING REACTIVE SILANE FUNCTIONALITY MINNESOTA MINING & MFG (US) 2008-01-09 EP disclosed
EP-0966503-B1 CURE-ON-DEMAND, MOISTURE-CURABLE COMPOSITIONS HAVING REACTIVE SILANE FUNCTIONALITY MINNESOTA MINING & MFG (US) 2003-05-28 EP disclosed
US-6204350-B1 POLYMER HAVING REACTIVE END GROUPS 3M INNOVATIVE PROPERTIES COMPANY 2001-03-20 US disclosed
EP-0966503-A1 CURE-ON-DEMAND, MOISTURE-CURABLE COMPOSITIONS HAVING REACTIVE SILANE FUNCTIONALITY MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1999-12-29 EP disclosed
WO-1998040439-A1 CURE-ON-DEMAND, MOISTURE-CURABLE COMPOSITIONS HAVING REACTIVE SILANE FUNCTIONALITY MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-09-17 WO disclosed