SCHEMBL4698803

SCHEMBL4698803

CCCCCCC(O)COc1ccc(C(=O)c2cccc(C(=O)c3ccc(OCC(O)CCCCCC)cc3)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 2/20 0.56
ABCB1 P08183 5/20 0.54
S1PR1 P21453 1/20 0.48
MAPK1 P28482 3/20 0.47
LMNA P02545 3/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CYP19A1 P11511 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
LTB4R Q15722 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL11842860 0.95 ABCB1 (0.56) PLA2G4BABCB1S1PR1MAPK1LMNA
SCHEMBL258672 0.92 ABCB1 (0.63) PLA2G4BABCB1S1PR1MAPK1LMNA
SCHEMBL588999 0.92 ABCB1 (0.63) PLA2G4BABCB1S1PR1MAPK1LMNA
SCHEMBL588614 0.92 ABCB1 (0.63) PLA2G4BABCB1S1PR1MAPK1LMNA
SCHEMBL6836270 0.92 ABCB1 (0.63) PLA2G4BABCB1S1PR1MAPK1LMNA
SCHEMBL27870163 0.92 ABCB1 (0.63) PLA2G4BABCB1S1PR1MAPK1LMNA
SCHEMBL11203428 0.91 ABCB1 (0.64) PLA2G4BABCB1MAPK1LMNAPOLB
SCHEMBL6071806 0.83 MAPT (0.69) PLA2G4BABCB1S1PR1LMNAPOLB
SCHEMBL8926603 0.81 ABCB1 (0.69) PLA2G4BABCB1MAPK1LMNAPOLB
SCHEMBL5090793 0.81 TSHR (0.61) PLA2G4BS1PR1LMNAPOLBMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966145-A2 FLUORESCENT BRIGHTENERS AND COMPOSITIONS THEREOF, METHODS OF PREPARATION AND USES The General Electric Company (US) 2008-09-10 EP disclosed
WO-2007062002-A2 FLUORESCENT BRIGHTENERS AND COMPOSITIONS THEREOF, METHODS OF PREPARATION AND USES GENERAL ELECTRIC COMPANY (US) 2007-05-31 WO disclosed