SCHEMBL4623708

SCHEMBL4623708

CCCCCCCCOc1ccc(P(C(=O)c2c(OC)cccc2OC)C(=O)c2c(OC)cccc2OC)c(OCCCCCCCC)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.48
THRB P10828 1/20 0.48
PLA2G4B P0C869 3/20 0.45
PPARA Q07869 1/20 0.44
MEN1 O00255 1/20 0.44
NR1I2 O75469 1/20 0.44
LMNA P02545 1/20 0.44
CHRM2 P08172 1/20 0.44
CYP3A4 P08684 1/20 0.44
ADRA2A P08913 1/20 0.44
MAPT P10636 1/20 0.44
OPRK1 P41145 1/20 0.44
HTR2B P41595 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KMT2A Q03164 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
SMPD1 P17405 6/20 0.44
PTPN11 Q06124 1/20 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
SCHEMBL4625095 0.83 ITGB1 (0.46) THRATHRBPLA2G4BPTPN11
SCHEMBL4625104 0.83 ITGB1 (0.46) THRATHRBPLA2G4BPTPN11
SCHEMBL29424084 0.81 ITGB1 (0.47) THRATHRBPLA2G4BPTPN11
SCHEMBL1853827 0.81 ITGB1 (0.47) THRATHRBPLA2G4BPTPN11
SCHEMBL12520349 0.79 ITGB1 (0.43) THRATHRBPPARAMEN1MAPT
SCHEMBL4710769 0.77 THRA (0.48) THRATHRBPLA2G4BPPARASMPD1
SCHEMBL28049124 0.77 PLA2G4B (0.44) THRATHRBPLA2G4BMEN1NR1I2
SCHEMBL7181178 0.76 THRA (0.47) THRATHRBPLA2G4BPPARASMPD1
SCHEMBL5144192 0.76 THRB (0.47) THRATHRBPLA2G4BPPARASMPD1
SCHEMBL7175103 0.75 THRB (0.46) THRATHRBPLA2G4BPPARALMNA

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
EP-1215044-B1 A laser engravable flexographic printing element and a method for forming a printing plate from the element DU PONT (US) 2008-05-21 EP claimed