SCHEMBL3045211

SCHEMBL3045211

COc1cccc2c(C(=O)Oc3c(C)cc(C(=O)O)cc3C)c3ccccc3[n+](CCCS(=O)(=O)O)c12

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 5/20 0.32
RAD52 P43351 1/20 0.32
TAS2R14 Q9NYV8 1/20 0.32
MRGPRX4 Q96LA9 2/20 0.32
ALDH1A1 P00352 2/20 0.31
ATM Q13315 2/20 0.31
PFKFB4 Q16877 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
LTB4R Q15722 1/20 0.31
LTB4R2 Q9NPC1 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
CYP2C19 P33261 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL3036376 0.92 HPGD (0.34) KDM4EMEN1POLBMAPTHPGD
SCHEMBL16144783 0.91 FABP4 (0.31) FABP4TAS2R14MRGPRX4ALDH1A1ATM
SCHEMBL3030273 0.91 TAS2R14 (0.34) FABP4TAS2R14ALDH1A1ATMKDM4E
SCHEMBL10091801 0.89 ALDH1A1 (0.35) ALDH1A1KDM4EMEN1LMNAPOLB
SCHEMBL3042292 0.85 HPGD (0.39) TAS2R14ALDH1A1KDM4EMEN1POLB
SCHEMBL3043225 0.85 HPGD (0.37) TAS2R14ALDH1A1KDM4ELMNAMAPT
SCHEMBL10091816 0.83 PLA2G2A (0.33) PLA2G2A
SCHEMBL3043919 0.83 HPGD (0.35) KDM4EMEN1POLBMAPTHPGD
SCHEMBL15412850 0.83 PPARA (0.37) ALDH1A1KDM4EMEN1LMNAPOLB
SCHEMBL14345497 0.82 PLA2G2A (0.35) ALDH1A1KDM4EMEN1POLBMAPT

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 9 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-7785904-B2 High quantum yield acridinium compounds and their uses in improving assay sensitivity SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2010-08-31 US disclosed
US-7785904-B2 High quantum yield acridinium compounds and their uses in improving assay sensitivity SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2010-08-31 US disclosed
US-20080014660-A1 High Quantum Yield Acridinium Compounds and Their Uses in Improving Assay Sensitivity BAYER HEALTHCARE LLC 2008-01-17 US disclosed
US-20080014660-A1 High Quantum Yield Acridinium Compounds and Their Uses in Improving Assay Sensitivity BAYER HEALTHCARE LLC 2008-01-17 US 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
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
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
US-20050221390-A1 High quantum yield acridinium compounds and their uses in improving assay sensitivity BAYER HEALTHCARE LLC (US) 2005-10-06 US disclosed