SCHEMBL14366292

SCHEMBL14366292

CCCCOC(=O)c1cc(C)c(OC(=O)c2c3cc(OC)ccc3[n+](CCCS(=O)(=O)O)c3ccc(OC)cc23)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.40
SLC2A1 P11166 1/20 0.40
HPGD P15428 1/20 0.37
STS P08842 7/20 0.36
MAPT P10636 2/20 0.34
APOBEC3A P31941 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PTGS2 P35354 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL3047147 0.88 HPGD (0.39) HPGDMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL13223666 0.87 DHODH (0.36) HPGDMAPTMEN1KMT2A
SCHEMBL16141123 0.86 PLA2G2A (0.34) SLC2A1HPGDMAPTAPOBEC3A
SCHEMBL16141117 0.85 PLA2G2A (0.34) SLC2A1HPGDPTGS2
SCHEMBL3043225 0.84 HPGD (0.37) HPGDMAPTSMN1; SMN2
SCHEMBL16141116 0.84 PLA2G2A (0.33) SLC2A1HPGDMAPTAPOBEC3AMEN1
SCHEMBL16144750 0.84 HPGD (0.36) HPGDMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL13223618 0.83 HPGD (0.35) HPGDKMT2A
SCHEMBL16141124 0.83 PLA2G2A (0.34) HPGD
SCHEMBL18531417 0.83 HPGD (0.34) HPGD

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
EP-1946108-B1 HIGH QUANTUM YIELD ACRIDINIUM COMPOUNDS AND THEIR USES IN IMPROVING ASSAY SENSITIVITY SIEMENS HEALTHCARE DIAGNOSTICS (US) 2014-10-01 EP disclosed
US-7309615-B2 High quantum yield acridinium compounds and their uses in improving assay sensitivity SIEMENS MEDICAL SOLUTIONS DIAGNOSTIC (US) 2007-12-18 US disclosed