SCHEMBL4190725

SCHEMBL4190725

COc1ccc(C=Cc2ccc3c(c2C(=O)Oc2c(C)cc(C(=O)O)cc2C)Cc2ccccc2N3CCCCS(=O)(=O)O)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.33
DRD3 P35462 5/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
SNCA P37840 4/20 0.33
DRD4 P21917 1/20 0.32
PTGS2 P35354 3/20 0.31
MEN1 O00255 2/20 0.31
MAPT P10636 2/20 0.31
KMT2A Q03164 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
NPC1 O15118 1/20 0.31
TRPA1 O75762 1/20 0.31
RAB9A P51151 1/20 0.31
PTGS1 P23219 1/20 0.31
PLA2G1B P04054 1/20 0.31
GFER P55789 1/20 0.31
ATG4B Q9Y4P1 1/20 0.31

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
SCHEMBL4192699 0.89 ALDH1A1 (0.34) DRD2DRD3ALDH1A1LMNAGAA
SCHEMBL4192243 0.83 HDAC8 (0.30)
SCHEMBL4186127 0.79 SNCA (0.33) DRD2DRD3ALDH1A1LMNASNCA
SCHEMBL4193155 0.74 PRNP (0.33) DRD2DRD3ALDH1A1LMNAMEN1
SCHEMBL4178414 0.73 PRNP (0.33) DRD2DRD3ALDH1A1LMNASNCA
SCHEMBL4185436 0.72 TTR (0.35) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL4186120 0.71 PKM (0.36) ALDH1A1HPGDSNCAPTGS2MEN1
SCHEMBL13633676 0.71 PKM (0.36) ALDH1A1HPGDSNCAPTGS2MEN1
SCHEMBL28526074 0.68 MAPT (0.36) DRD2DRD3ALDH1A1LMNAHPGD
SCHEMBL4192694 0.68 KDM4E (0.38) ALDH1A1SNCAMEN1MAPTKMT2A

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