SCHEMBL3838564

SCHEMBL3838564

NC(O)c1cccc(O)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 2/20 0.64
ADRA1A P35348 2/20 0.64
MIF P14174 1/20 0.64
HTR2A P28223 1/20 0.64
HTR2B P41595 1/20 0.64
KYNU Q16719 1/20 0.53
LMNA P02545 4/20 0.51
HIF1A Q16665 4/20 0.51
KDM4E B2RXH2 2/20 0.51
CA12 O43570 2/20 0.50
ALDH1A1 P00352 2/20 0.50
CA2 P00918 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
CYP3A4 P08684 2/20 0.50
TSHR P16473 2/20 0.50
CA5A P35218 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CA5B Q9Y2D0 1/20 0.50
ADRB2 P07550 1/20 0.50

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
SCHEMBL10634769 0.83 ADRB1 (0.61) ADRB1ADRA1AMIFHTR2AHTR2B
SCHEMBL10785909 0.83 ADRB1 (0.61) ADRB1ADRA1AMIFHTR2AHTR2B
SCHEMBL2060109 0.80 ADRB1 (0.57) ADRB1ADRA1AMIFHTR2AHTR2B
SCHEMBL670817 0.80 ADRB1 (0.57) ADRB1ADRA1AMIFHTR2AHTR2B
SCHEMBL11590544 0.80 ADRB1 (0.69) ADRB1ADRA1AMIFHTR2AHTR2B
SCHEMBL43452 0.79 ADRB1 (0.68) ADRB1ADRA1AMIFHTR2AHTR2B
SCHEMBL782546 0.79 ADRB1 (0.68) ADRB1ADRA1AMIFHTR2AHTR2B
SCHEMBL29708001 0.79 ADRB1 (0.68) ADRB1ADRA1AMIFHTR2AHTR2B
SCHEMBL43453 0.79 ADRB1 (0.68) ADRB1ADRA1AMIFHTR2AHTR2B
SCHEMBL29586078 0.79 ADRB1 (0.68) ADRB1ADRA1AMIFHTR2AHTR2B

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-2065073-B1 Composition for the oxidation dyeing of keratin fibres comprising a cellulose with hydrophobic substituents, an oxidation dye and a long-chain fatty alcohol ORÉAL L (FR) 2015-08-19 EP disclosed
EP-2065074-B1 Composition for the oxidation dyeing of keratin fibres comprising a cellulose with hydrophobic substituent(s), an oxidation dye and a cationic polymer ORÉAL L (FR) 2014-06-18 EP disclosed
EP-2065073-A2 Composition for the oxidation dyeing of keratin fibres comprising a cellulose with hydrophobic substituents, an oxidation dye and a long-chain fatty alcohol L'Oréal (FR) 2009-06-03 EP disclosed
EP-2065074-A2 Composition for the oxidation dyeing of keratin fibres comprising a cellulose with hydrophobic substituent(s), an oxidation dye and a cationic polymer L'Oréal (FR) 2009-06-03 EP disclosed