SCHEMBL4093510

SCHEMBL4093510

CCCCCCCCCCCCCCc1ccccc1NC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.55
NR1H2 P55055 1/20 0.45
NR1H3 Q13133 1/20 0.45
CYSLTR2 Q9NS75 4/20 0.44
CYSLTR1 Q9Y271 4/20 0.44
BID P55957 3/20 0.42
MCL1 Q07820 3/20 0.42
BCL2L1 Q07817 2/20 0.42
BAK1 Q16611 2/20 0.42
KAT8 Q9H7Z6 2/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
EP300 Q09472 1/20 0.42
KAT2A Q92830 1/20 0.42
KAT2B Q92831 1/20 0.42
KAT5 Q92993 1/20 0.42
SAE1 Q9UBE0 1/20 0.42
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
KCNH2 Q12809 1/20 0.41

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
SCHEMBL4089467 1.00 LIPG (0.55) LIPGNR1H2NR1H3CYSLTR2CYSLTR1
SCHEMBL4079740 1.00 LIPG (0.55) LIPGNR1H2NR1H3CYSLTR2CYSLTR1
SCHEMBL4083405 1.00 LIPG (0.55) LIPGNR1H2NR1H3CYSLTR2CYSLTR1
SCHEMBL11349035 1.00 LIPG (0.55) LIPGNR1H2NR1H3CYSLTR2CYSLTR1
SCHEMBL10407894 0.98 LIPG (0.52) LIPGNR1H2NR1H3CYSLTR2CYSLTR1
SCHEMBL4093561 0.92 CYP3A4 (0.45) LIPGNR1H2NR1H3CYSLTR2CYSLTR1
Hydrochloric Acid SCHEMBL8801544 0.90 CYP3A4 (0.44) LIPGNR1H2NR1H3CYSLTR2CYSLTR1
SCHEMBL10869653 0.86 LIPG (0.56) LIPGNR1H2NR1H3CYSLTR2CYSLTR1
SCHEMBL14785526 0.86 LIPG (0.56) LIPGNR1H2NR1H3CYSLTR2CYSLTR1
SCHEMBL1567827 0.86 LIPG (0.56) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009104785-A1 CATALYST COMPONENT FOR POLYMERIZATION OF ETHYLENE AND PROCESS FOR PRODUCING ETHYLENE POLYMER (1) SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-08-27 WO disclosed