SCHEMBL3042292

SCHEMBL3042292

COc1ccc2c(C(=O)Oc3c(C)cc(C(=O)O)cc3C)c3ccccc3[n+](CCCS(=O)(=O)O)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.39
PLA2G2A P14555 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TAS2R14 Q9NYV8 6/20 0.32
PLA2G4A P47712 1/20 0.31
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 1/20 0.31
TUBB4B P68371 1/20 0.31
TUBB3 Q13509 1/20 0.31
TUBB2A Q13885 1/20 0.31
TUBB8 Q3ZCM7 1/20 0.31
TUBA3E Q6PEY2 1/20 0.31
TUBA1A Q71U36 1/20 0.31
TUBA1C Q9BQE3 1/20 0.31
TUBB6 Q9BUF5 1/20 0.31
TUBB2B Q9BVA1 1/20 0.31

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
SCHEMBL3043225 0.95 HPGD (0.37) HPGDPLA2G2ATAS2R14PLA2G4ATUBB4A
SCHEMBL10091801 0.92 ALDH1A1 (0.35) HPGDPLA2G2AMEN1KMT2ANPC1
SCHEMBL3047147 0.90 HPGD (0.39) HPGDPLA2G2AMEN1KMT2APLA2G4A
SCHEMBL3030273 0.87 TAS2R14 (0.34) HPGDPLA2G2AMEN1KMT2ATAS2R14
SCHEMBL10091816 0.86 PLA2G2A (0.33) PLA2G2A
SCHEMBL13633676 0.86 PKM (0.36) HPGDMEN1KMT2ATAS2R14TUBB4A
SCHEMBL4186120 0.86 PKM (0.36) HPGDMEN1KMT2ATAS2R14TUBB4A
SCHEMBL3045211 0.85 FABP4 (0.32) HPGDPLA2G2AMEN1KMT2ATAS2R14
SCHEMBL15412850 0.85 PPARA (0.37) HPGDMEN1KMT2ANPC1RAB9A
SCHEMBL10091808 0.84 ALDH1A1 (0.33) HPGDMEN1KMT2ANPC1RAB9A

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