SCHEMBL3047147

SCHEMBL3047147

COc1ccc2c(c1)c(C(=O)Oc1c(C)cc(C(=O)O)cc1C)c1cc(OC)ccc1[n+]2CCCS(=O)(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.39
KDM4E B2RXH2 7/20 0.33
MAPT P10636 4/20 0.33
GAA P10253 3/20 0.33
POLB P06746 2/20 0.33
HSD17B10 Q99714 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
APEX1 P27695 1/20 0.33
ALDH1A1 P00352 2/20 0.33
PLA2G2A P14555 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ATM Q13315 1/20 0.32
PLA2G4A P47712 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2E1 P05181 1/20 0.31
CYP3A4 P08684 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 0.96 HPGD (0.37) HPGDKDM4EMAPTNPC1RAB9A
SCHEMBL13223611 0.93 PLA2G2A (0.40) HPGDKDM4EPOLBRAB9AALDH1A1
SCHEMBL3043919 0.92 HPGD (0.35) HPGDKDM4EMAPTGAAPOLB
SCHEMBL3042292 0.90 HPGD (0.39) HPGDKDM4EMAPTGAAPOLB
SCHEMBL3036376 0.90 HPGD (0.34) HPGDKDM4EMAPTGAAPOLB
SCHEMBL16142560 0.89 PLA2G2A (0.32) HPGDPLA2G2A
SCHEMBL10091828 0.89 PLA2G2A (0.36) HPGDKDM4EALDH1A1PLA2G2ATDP1
SCHEMBL16144788 0.89 NPC1 (0.30) NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL14366292 0.88 ESR1 (0.40) HPGDMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL13223652 0.88 MAPT (0.42) HPGDKDM4EMAPTHSD17B10NPC1

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 10 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
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