SCHEMBL3040195

SCHEMBL3040195

COc1ccc2c(c1)C(C(=O)Oc1c(C)cc(C(=O)O)cc1C)c1cccc(OC)c1N2CCCS(=O)(=O)O

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 1/20 0.30
HSD17B10 Q99714 1/20 0.30
MAPT P10636 1/20 0.30
USP2 O75604 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL28095230 0.81 ALDH1A1 (0.36) ALDH1A1CYP3A4HSD17B10MAPTUSP2
SCHEMBL4186127 0.79 SNCA (0.33) ALDH1A1CYP3A4MAPTMEN1KMT2A
SCHEMBL4178414 0.70 PRNP (0.33) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL38664719 0.69 ATM (0.40) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL38663301 0.68 HDAC4 (0.41) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL38665317 0.67 ALDH1A1 (0.39) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL4191633 0.66 DRD2 (0.36) HSP90AA1MEN1KMT2A
SCHEMBL12096594 0.65 ALDH1A1 (0.39) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL3036376 0.65 HPGD (0.34) MAPTMEN1KMT2A
SCHEMBL4192299 0.65 HDAC4 (0.40) ALDH1A1CYP1A2CYP2C19HSD17B10MAPT

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 5 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-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-20050221390-A1 High quantum yield acridinium compounds and their uses in improving assay sensitivity BAYER HEALTHCARE LLC (US) 2005-10-06 US disclosed