SCHEMBL3036376

SCHEMBL3036376

COc1ccc2c(c1)c(C(=O)Oc1c(C)cc(C(=O)O)cc1C)c1cccc(OC)c1[n+]2CCCS(=O)(=O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.34
MAPT P10636 2/20 0.32
POLB P06746 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
APEX1 P27695 1/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
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

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
SCHEMBL3043919 0.92 HPGD (0.35) HPGDMAPTPOLBNPC1RAB9A
SCHEMBL3045211 0.92 FABP4 (0.32) HPGDMAPTPOLBNPC1RAB9A
SCHEMBL3047147 0.90 HPGD (0.39) HPGDMAPTPOLBNPC1RAB9A
SCHEMBL3043225 0.89 HPGD (0.37) HPGDMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL3030273 0.88 TAS2R14 (0.34) HPGDMAPTPOLBNPC1RAB9A
SCHEMBL14345497 0.87 PLA2G2A (0.35) HPGDMAPTPOLBNPC1RAB9A
SCHEMBL3042292 0.84 HPGD (0.39) HPGDMAPTPOLBNPC1RAB9A
SCHEMBL16144783 0.83 FABP4 (0.31) HPGDMAPTPOLBSMN1; SMN2KDM4E
SCHEMBL13223611 0.83 PLA2G2A (0.40) HPGDPOLBRAB9AKDM4EMEN1
SCHEMBL10091801 0.81 ALDH1A1 (0.35) HPGDMAPTPOLBNPC1RAB9A

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