SCHEMBL4197113

SCHEMBL4197113

Cc1cc(C(=O)O)cc(C)c1OC(=O)C1c2ccccc2N(C)c2ccc(C=Cc3ccc(O)cc3)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 4/20 0.40
HDAC4 P56524 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
MAPT P10636 2/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HDAC1 Q13547 1/20 0.34
KMT2A Q03164 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
DUSP22 Q9NRW4 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
BACE1 P56817 1/20 0.33
CYP3A4 P08684 1/20 0.32
HSPD1 P10809 1/20 0.32
PKM P14618 1/20 0.32
NFKB1 P19838 1/20 0.32
RAB9A P51151 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
SCHEMBL4187769 0.95 TTR (0.43) TTRHDAC4HDAC7HDAC5MAPT
SCHEMBL38662446 0.90 HDAC4 (0.40) TTRHDAC4HDAC7HDAC5MAPT
SCHEMBL4192299 0.89 HDAC4 (0.40) TTRHDAC4HDAC7HDAC5MAPT
SCHEMBL4178444 0.87 HDAC4 (0.37) HDAC4HDAC7HDAC5MAPTSMN1; SMN2
SCHEMBL4192625 0.83 HDAC4 (0.37) HDAC4HDAC7HDAC5MAPTSMN1; SMN2
SCHEMBL4185436 0.81 TTR (0.35) TTRMAPTTP53SMN1; SMN2ALDH1A1
SCHEMBL38664809 0.80 KMT2A (0.41) TTRHDAC4HDAC7HDAC5MAPT
SCHEMBL4186127 0.77 SNCA (0.33) MAPTSMN1; SMN2KMT2ADUSP22KDM4E
SCHEMBL38665521 0.76 HDAC4 (0.49) HDAC4HDAC7HDAC5MAPTTP53
SCHEMBL6254107 0.73 HDAC4 (0.51) HDAC4HDAC7HDAC5MAPTSMN1; SMN2

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