SCHEMBL3049097

SCHEMBL3049097

Cc1cc(C(=O)O)cc(C)c1Cc1ccc(O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.61
THRB P10828 2/20 0.61
CA2 P00918 3/20 0.45
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA7 P43166 2/20 0.45
CA9 Q16790 2/20 0.45
CA14 Q9ULX7 2/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 1/20 0.45
CA3 P07451 1/20 0.45
TYR P14679 1/20 0.45
DRD1 P21728 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
CA5A P35218 1/20 0.45
CA5B Q9Y2D0 1/20 0.45
SRD5A2 P31213 2/20 0.45
ESR1 P03372 1/20 0.43

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
SCHEMBL27645322 0.81 THRA (0.58) THRATHRBESR1ESR2NPC1
SCHEMBL15799777 0.80 THRB (0.57) THRATHRBMEN1KMT2AESR1
SCHEMBL7945362 0.78 ESR1 (0.56) CA2CA12CA1CA7CA9
SCHEMBL2130368 0.75 CA2 (0.73) CA2CA12CA1CA7CA9
SCHEMBL28189045 0.74 PTPN5 (0.54) THRATHRBCA2CA1SMN1; SMN2
SCHEMBL29155389 0.74 ESR1 (0.54) THRATHRBESR1ESR2NPC1
SCHEMBL3049095 0.73 HSPA5 (0.47) MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL25528251 0.73 THRB (0.79) THRATHRB
SCHEMBL16203374 0.72 KLKB1 (0.58) THRATHRBESR1ESR2
SCHEMBL9558175 0.72 KMT2A (0.49) THRATHRBMEN1LMNAKMT2A

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 7 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
EP-1946108-A2 HIGH QUANTUM YIELD ACRIDINIUM COMPOUNDS AND THEIR USES IN IMPROVING ASSAY SENSITIVITY Bayer Healthcare LLC (US) 2008-07-23 EP 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
WO-2006130736-A2 HIGH QUANTUM YIELD ACRIDINIUM COMPOUNDS AND THEIR USES IN IMPROVING ASSAY SENSITIVITY SIEMENS MEDICAL SOLUTIONS DIAGNOSTICS (US) 2006-12-07 WO 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