SCHEMBL4178444

SCHEMBL4178444

Cc1cc(C(=O)O)cc(C)c1OC(=O)C1c2ccccc2N(C)c2ccc(-c3ccc(O)cc3)cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
BRD4 O60885 2/20 0.33
BRD2 P25440 2/20 0.33
BRD3 Q15059 2/20 0.33
PIM1 P11309 1/20 0.33
IRAK1 P51617 1/20 0.33
CAMK2B Q13554 1/20 0.33
CAMK2G Q13555 1/20 0.33
CAMK2D Q13557 1/20 0.33
PIM3 Q86V86 1/20 0.33
EGFR P00533 2/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
SRC P12931 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
LMNA P02545 4/20 0.32
MEN1 O00255 3/20 0.32

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
SCHEMBL4192625 0.94 HDAC4 (0.37) HDAC4HDAC7HDAC5PIM1IRAK1
SCHEMBL4192299 0.92 HDAC4 (0.40) HDAC4HDAC7HDAC5EGFRSRC
SCHEMBL4197113 0.87 TTR (0.40) HDAC4HDAC7HDAC5EGFRSRC
SCHEMBL4187769 0.84 TTR (0.43) HDAC4HDAC7HDAC5EGFRSRC
SCHEMBL38665521 0.78 HDAC4 (0.49) HDAC4HDAC7HDAC5EGFRSRC
SCHEMBL38662446 0.77 HDAC4 (0.40) HDAC4HDAC7HDAC5L3MBTL1LMNA
SCHEMBL38664478 0.75 HDAC4 (0.51) HDAC4HDAC7HDAC5EGFRSRC
SCHEMBL6254107 0.75 HDAC4 (0.51) HDAC4HDAC7HDAC5EGFRSRC
SCHEMBL7496889 0.75 HDAC4 (0.46) HDAC4HDAC7HDAC5PIM1EGFR
SCHEMBL13005762 0.75 HSD17B10 (0.49) HDAC4HDAC7HDAC5EGFRSRC

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7611909-B1 Acridinium compound for use in the concurrent detection of target analytes in immunoassays or nucleic acid assays SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2009-11-03 US disclosed
EP-1104405-B1 NEAR INFRARED CHEMILUMINESCENT ACRIDINIUM COMPOUNDS AND USES THEREOF SIEMENS HEALTHCARE DIAGNOSTICS (US) 2009-02-18 EP disclosed
US-7083986-B2 Near infrared chemiluminescent acridinium compounds and uses thereof BAYER HEALTHCARE LLC (US) 2006-08-01 US disclosed
US-20020076823-A1 Near infrared chemiluminescent acridinium compounds and uses thereof BAYER CORPORATION (US) 2002-06-20 US disclosed
US-6355803-B1 COMPOUND COMPRISING EXTENDED, COPLANAR, CONJUGATED SYSTEM, FORMED BY ATTACHMENT OF FUNCTIONAL GROUP COMPRISING AROMATIC RING AND ELECTRON-DONATING GROUP ON ACRIDINIUM NUCLEUS, WHICH MAINTAINS COPLANARITY DURING LIGHT EMISSION BAYER CORPORATION 2002-03-12 US disclosed
EP-1104405-A1 NEAR INFRARED CHEMILUMINESCENT ACRIDINIUM COMPOUNDS AND USES THEREOF Bayer Corporation (US) 2001-06-06 EP disclosed
WO-2000009487-A9 NEAR INFRARED CHEMILUMINESCENT ACRIDINIUM COMPOUNDS AND USES THEREOF BAYER AG (US) 2000-06-22 WO disclosed
WO-2000009487-A1 NEAR INFRARED CHEMILUMINESCENT ACRIDINIUM COMPOUNDS AND USES THEREOF BAYER CORPORATION (US) 2000-02-24 WO disclosed