SCHEMBL4186127

SCHEMBL4186127

COc1ccc(C=Cc2ccc3c(c2)C(C(=O)Oc2c(C)cc(C(=O)O)cc2C)c2ccccc2N3CCCCS(=O)(=O)O)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 1/20 0.33
ALOX5 P09917 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
TUBB1 Q9H4B7 2/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32
TUBB8 Q3ZCM7 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
SCHEMBL4193155 0.91 PRNP (0.33) KDM4EDRD2DRD3BCHECYP3A4
SCHEMBL4185436 0.89 TTR (0.35) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL4178414 0.87 PRNP (0.33) SNCAKDM4EDRD2DRD3BCHE
SCHEMBL28095230 0.85 ALDH1A1 (0.36) KDM4ENPC1PKMRAB9ACYP3A4
SCHEMBL4191633 0.81 DRD2 (0.36) NPC1RAB9ADRD2DRD3MEN1
SCHEMBL3040195 0.79 ALDH1A1 (0.33) CYP3A4MEN1ALDH1A1MAPTKMT2A
SCHEMBL4190725 0.79 DRD2 (0.33) SNCANPC1RAB9APTGS1PTGS2
SCHEMBL4192699 0.78 ALDH1A1 (0.34) KDM4ENPC1PKMRAB9AALOX5
SCHEMBL4197113 0.77 TTR (0.40) KDM4EPKMRAB9AALOX5PTGS1
SCHEMBL4187769 0.73 TTR (0.43) PKMRAB9ACYP3A4NFKB1NFKB2

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