SCHEMBL10028735

SCHEMBL10028735

CCCCCCCCCCn1c(CO)[n+](CCCCCCCCCC)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.44
PTPN1 P18031 1/20 0.42
ALDH1A1 P00352 2/20 0.40
HTT P42858 2/20 0.40
NPSR1 Q6W5P4 3/20 0.40
SAE1 Q9UBE0 1/20 0.40
UBA2 Q9UBT2 1/20 0.40
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
CYP1A2 P05177 1/20 0.39
GLA P06280 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 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
SCHEMBL10028679 1.00 TLR8 (0.44) TLR8PTPN1ALDH1A1HTTNPSR1
Bromide SCHEMBL2018054 0.88 PTPN1 (0.43) TLR8PTPN1ALDH1A1HTTNPSR1
SCHEMBL12635763 0.85 PTPN1 (0.48) TLR8PTPN1ALDH1A1HTTCYP1A2
Iodide SCHEMBL2018008 0.83 PTPN1 (0.50) TLR8PTPN1ALDH1A1HTTNPSR1
SCHEMBL10028744 0.82 PTPN1 (0.48) TLR8PTPN1ALDH1A1HTTNPSR1
SCHEMBL459038 0.82 PTPN1 (0.48) TLR8PTPN1ALDH1A1HTTNPSR1
Bromide SCHEMBL459711 0.81 PTPN1 (0.47) TLR8PTPN1ALDH1A1HTTNPSR1
Bromide SCHEMBL460627 0.81 PTPN1 (0.47) TLR8PTPN1ALDH1A1HTTNPSR1
SCHEMBL12635688 0.79 ALDH1A1 (0.42) PTPN1ALDH1A1HTTNPSR1CYP1A2
SCHEMBL22189012 0.78 NPSR1 (0.43) TLR8PTPN1ALDH1A1HTTNPSR1

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-2012011793-A1 SURFACTANTS FOR THE MODIFICATION OF CLAY, METHOD OF SYNTHESIS AND THE NANOCOMPOSITES PRODUCED MOROCCAN FOUNDATION FOR ADVANCED SCIENCE, INNOVATION & RESEARCH (MASCIR) (MA) 2012-01-26 WO disclosed