SCHEMBL7192198

SCHEMBL7192198

CCCCCCCCCc1ccccc1[Si](O[PH](=O)O)(c1ccccc1CCCCCCCCC)c1ccccc1CCCCCCCCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.46
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
PPARA Q07869 3/20 0.41
BID P55957 3/20 0.40
MCL1 Q07820 3/20 0.40
BCL2L1 Q07817 2/20 0.40
BAK1 Q16611 2/20 0.40
KAT8 Q9H7Z6 2/20 0.40
PPARG P37231 2/20 0.40
EP300 Q09472 1/20 0.40
KAT2A Q92830 1/20 0.40
KAT2B Q92831 1/20 0.40
KAT5 Q92993 1/20 0.40
SAE1 Q9UBE0 1/20 0.40
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
CYSLTR2 Q9NS75 6/20 0.39
CYSLTR1 Q9Y271 6/20 0.39
ALOX5 P09917 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
SCHEMBL4707346 0.88 LIPG (0.45) LIPGTHRATHRBPPARABID
Phosphonic Acid SCHEMBL8854031 0.78 LIPG (0.61) LIPGTHRATHRBPPARABID
Phosphonic Acid SCHEMBL9260433 0.78 LIPG (0.61) LIPGTHRATHRBPPARABID
SCHEMBL2817615 0.76 THRA (0.57) LIPGTHRATHRBPPARABID
SCHEMBL678039 0.76 THRA (0.57) LIPGTHRATHRBPPARABID
SCHEMBL2818976 0.76 THRA (0.57) LIPGTHRATHRBPPARABID
SCHEMBL1686933 0.75 LIPG (0.58) LIPGTHRATHRBPPARABID
SCHEMBL1686667 0.75 LIPG (0.58) LIPGTHRATHRBPPARABID
SCHEMBL1686606 0.75 LIPG (0.58) LIPGTHRATHRBPPARABID
SCHEMBL1686687 0.75 LIPG (0.58) LIPGTHRATHRBPPARABID

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-6627712-B2 Reaction product of an iron-containing compound, a silyl phosphonate, and an organoaluminum compound to polymerize 1,3-butadiene into syndiotactic 1,2-polybutadiene BRIDGESTONE CORPORATION (JP) 2003-09-30 US disclosed
US-20020156210-A1 Manufacture of conjugated diene polymers by using an iron-based catalyst composition BRIDGESTONE CORP. 2002-10-24 US disclosed