SCHEMBL4187769

SCHEMBL4187769

Cc1cc(C(=O)O)cc(C)c1OC(=O)C1c2ccccc2N(C)c2cc(C=Cc3ccc(O)cc3)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 5/20 0.43
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
BACE1 P56817 1/20 0.33
HDAC1 Q13547 1/20 0.32
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
HSPE1 P61604 1/20 0.32
NFKB2 Q00653 1/20 0.32
KMT2A Q03164 1/20 0.32
RELA Q04206 1/20 0.32
THRB P10828 1/20 0.32
EGFR P00533 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
SCHEMBL4197113 0.95 TTR (0.40) TTRHDAC4HDAC7HDAC5TP53
SCHEMBL4192625 0.88 HDAC4 (0.37) HDAC4HDAC7HDAC5MAPTSMN1; SMN2
SCHEMBL38662446 0.87 HDAC4 (0.40) TTRHDAC4HDAC7HDAC5TP53
SCHEMBL4192299 0.86 HDAC4 (0.40) TTRHDAC4HDAC7HDAC5MAPT
SCHEMBL4178444 0.84 HDAC4 (0.37) HDAC4HDAC7HDAC5MAPTSMN1; SMN2
SCHEMBL4185436 0.83 TTR (0.35) TTRTP53MAPTSMN1; SMN2RAB9A
SCHEMBL38664809 0.77 KMT2A (0.41) TTRHDAC4HDAC7HDAC5TP53
SCHEMBL38665521 0.76 HDAC4 (0.49) HDAC4HDAC7HDAC5TP53MAPT
SCHEMBL38664478 0.76 HDAC4 (0.51) HDAC4HDAC7HDAC5MAPTSMN1; SMN2
SCHEMBL6254107 0.76 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1104405-B1 NEAR INFRARED CHEMILUMINESCENT ACRIDINIUM COMPOUNDS AND USES THEREOF SIEMENS HEALTHCARE DIAGNOSTICS (US) 2009-02-18 EP claimed
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