SCHEMBL4192299

SCHEMBL4192299

Cc1cc(C(=O)O)cc(C)c1OC(=O)C1c2ccccc2N(C)c2ccc(O)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
EGFR P00533 2/20 0.35
SRC P12931 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
MYC P01106 2/20 0.33
ESR1 P03372 2/20 0.33
ALOX15 P16050 1/20 0.33
PTPN7 P35236 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
DUSP22 Q9NRW4 1/20 0.32
KDM4E B2RXH2 1/20 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
SCHEMBL4178444 0.92 HDAC4 (0.37) HDAC4HDAC7HDAC5EGFRSRC
SCHEMBL4197113 0.89 TTR (0.40) HDAC4HDAC7HDAC5EGFRSRC
SCHEMBL4192625 0.88 HDAC4 (0.37) HDAC4HDAC7HDAC5EGFRSRC
SCHEMBL4187769 0.86 TTR (0.43) HDAC4HDAC7HDAC5EGFRSRC
SCHEMBL7496889 0.83 HDAC4 (0.46) HDAC4HDAC7HDAC5EGFRSRC
SCHEMBL38665521 0.81 HDAC4 (0.49) HDAC4HDAC7HDAC5EGFRSRC
SCHEMBL6254107 0.78 HDAC4 (0.51) HDAC4HDAC7HDAC5EGFRSRC
SCHEMBL38664478 0.78 HDAC4 (0.51) HDAC4HDAC7HDAC5EGFRSRC
SCHEMBL38662446 0.78 HDAC4 (0.40) HDAC4HDAC7HDAC5L3MBTL1MEN1
Bromide SCHEMBL4190245 0.77 EGFR (0.35) 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