SCHEMBL7567683

SCHEMBL7567683

C(=C(c1ccccc1)c1nc2c(-c3ccccc3)cccc2o1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.39
CYP11B2 P19099 2/20 0.39
ESR1 P03372 1/20 0.36
TOP2A P11388 2/20 0.36
FAAH O00519 1/20 0.34
DAGLA Q9Y4D2 1/20 0.33
KDM4E B2RXH2 5/20 0.33
MAPT P10636 4/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
MAPK1 P28482 1/20 0.32
ENPP1 P22413 1/20 0.32
PTGS2 P35354 1/20 0.32
POLB P06746 2/20 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
SCHEMBL11462109 0.79 TOP2A (0.42) TOP2ADAGLAKDM4EMAPTNPSR1
SCHEMBL285169 0.77 KDM4E (0.51) CYP19A1CYP11B2ESR1FAAHDAGLA
SCHEMBL2960024 0.76 NR4A2 (0.49) TOP2ADAGLAKDM4EMAPTPIK3CD
Bicarbonate SCHEMBL11140372 0.74 FAAH (0.53) FAAHDAGLAKDM4EMAPTNPSR1
SCHEMBL30084620 0.71 NR4A2 (0.42) TOP2AFAAHDAGLAKDM4EMAPT
SCHEMBL27567252 0.70 TOP2A (0.45) TOP2AKDM4EPIK3CDPIK3CAPIK3CB
SCHEMBL5708151 0.69 MAPT (0.55) FAAHDAGLAKDM4EMAPTNPSR1
SCHEMBL828193 0.69 ESR1 (0.48) CYP19A1CYP11B2ESR1KMT2AMEN1
SCHEMBL828195 0.69 ESR1 (0.48) CYP19A1CYP11B2ESR1KMT2AMEN1
SCHEMBL1618212 0.69 TOP2A (0.58) TOP2AKDM4EPIK3CDPIK3CAPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0868466-B1 SOIL RELEASE POLYMERS WITH FLUORESCENT WHITENING PROPERTIES PROCTER & GAMBLE (US) 2002-04-03 EP disclosed
WO-1998059030-A1 SOIL RELEASE POLYMERS WITH FLUORESCENT WHITENING PROPERTIES THE PROCTER & GAMBLE COMPANY (US) 1998-12-30 WO disclosed
US-5834412-A POLYETHYLENE TEREPHTHALATE COMPRISING FLUORESCENT WHITENING GROUPS THE PROCTER & GAMBLE COMPANY (US) 1998-11-10 US disclosed
US-5728671-A OLIGOMERS, POLYESTERS WITH FLUORESCENT WHITENING GROUPS FOR SOILS RELEASE THE PROCTER & GAMBLE COMPANY (US) 1998-03-17 US disclosed