SCHEMBL4187178

SCHEMBL4187178

Cc1cc(C(=O)OCc2ccccc2)cc(C)c1OC(=O)C1c2ccccc2N(C)c2cc(-c3ccc(OCc4ccccc4)cc3)ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.38
CHRNA5 P30532 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38
MCL1 Q07820 1/20 0.38
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
FFAR1 O14842 3/20 0.36
EGFR P00533 2/20 0.36
PTGER4 P35408 1/20 0.36
PTGER3 P43115 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
PLA2G4B P0C869 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
MEN1 O00255 1/20 0.35
HSP90AA1 P07900 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL4195022 0.90 LCK (0.41) CHRNB2CHRNA5CHRNA7CHRNA4RAB9A
SCHEMBL4189460 0.86 LCK (0.38) CHRNB2CHRNA5CHRNA7CHRNA4RAB9A
SCHEMBL4197435 0.80 PRNP (0.36) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL4191633 0.77 DRD2 (0.36) CHRNB2CHRNA5CHRNA7CHRNA4RAB9A
SCHEMBL4178414 0.71 PRNP (0.33) MAPK1SMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL38665521 0.71 HDAC4 (0.49) EGFRSMN1; SMN2MAPTMEN1KMT2A
SCHEMBL27850824 0.71 HDAC4 (0.51) EGFRMAPK1ALDH1A1KMT2A
SCHEMBL38664478 0.71 HDAC4 (0.51) EGFRSMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL4194817 0.71 MEN1 (0.41) MCL1PTGER4PTGER3MEN1HSP90AA1
SCHEMBL4192299 0.70 HDAC4 (0.40) RAB9ANPC1EGFRSMN1; SMN2ALDH1A1

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 5 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