SCHEMBL4195022

SCHEMBL4195022

Cc1cc(C(=O)OCc2ccccc2)cc(C)c1OC(=O)C1c2ccccc2N(C)c2cc(C=Cc3ccc(OCc4ccccc4)cc3)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.41
NPC1 O15118 1/20 0.39
CASP3 P42574 1/20 0.39
RAB9A P51151 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
MAOB P27338 2/20 0.38
GSK3B P49841 3/20 0.38
BACE1 P56817 2/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNA5 P30532 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
PTPN1 P18031 2/20 0.37

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
SCHEMBL4189460 0.96 LCK (0.38) LCKNPC1CASP3RAB9ASENP8
SCHEMBL4187178 0.90 CHRNB2 (0.38) NPC1RAB9AMAOBCHRNB2CHRNA5
SCHEMBL4191633 0.86 DRD2 (0.36) LCKNPC1CASP3RAB9ASENP8
SCHEMBL4187769 0.81 TTR (0.43) RAB9ABACE1PTPN1KMT2A
SCHEMBL4178414 0.80 PRNP (0.33) MAOBMEN1KMT2A
SCHEMBL4197435 0.79 PRNP (0.36) NPC1RAB9APPARGKMT2A
SCHEMBL4193155 0.78 PRNP (0.33) MAOBGSK3BBACE1MEN1KMT2A
SCHEMBL4480370 0.74 MEN1 (0.42) LCKMAOBGSK3BBACE1ABCG2
SCHEMBL38662446 0.74 HDAC4 (0.40) BACE1APPMEN1KMT2A
SCHEMBL38664809 0.74 KMT2A (0.41) NPC1RAB9AMEN1KMT2A

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