SCHEMBL4480370

SCHEMBL4480370

Cc1cc(C(=O)OCc2ccccc2)cc(C)c1OC(=O)c1c2ccccc2nc2ccc(C=Cc3ccc(OCc4ccccc4)cc3)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
HSP90AA1 P07900 1/20 0.42
KMT2A Q03164 1/20 0.42
LCK P06239 1/20 0.41
ACHE P22303 2/20 0.40
APP P05067 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
GSK3B P49841 3/20 0.40
BACE1 P56817 2/20 0.40
MAOB P27338 2/20 0.40
SLC5A1 P13866 1/20 0.40
SLC5A2 P31639 1/20 0.40

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
SCHEMBL4190377 0.95 MEN1 (0.42) MEN1HSP90AA1KMT2ALCKACHE
SCHEMBL13633577 0.93 DHODH (0.45) MEN1KMT2AGSK3BBACE1MAOB
SCHEMBL4192241 0.93 DHODH (0.45) MEN1KMT2AGSK3BBACE1MAOB
SCHEMBL13633574 0.92 DHODH (0.39) KMT2A
SCHEMBL4183514 0.88 NPC1 (0.44) MEN1KMT2AGSK3BBACE1MAOB
SCHEMBL4183628 0.88 MAPT (0.39) KMT2A
SCHEMBL13633650 0.87 MAPT (0.38) KMT2AAPPHDAC1HDAC2HDAC8
SCHEMBL9631380 0.85 TDP1 (0.47) KMT2A
SCHEMBL4194817 0.85 MEN1 (0.41) MEN1HSP90AA1KMT2AACHEAPP
SCHEMBL4189457 0.85 LCK (0.39) LCKAPPGSK3BBACE1MAOB

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