SCHEMBL4649864

SCHEMBL4649864

Nc1ccccc1Oc1ccccc1C1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.49
HTR1A P08908 6/20 0.45
SLC6A2 P23975 6/20 0.45
SLC6A4 P31645 6/20 0.45
SLC6A3 Q01959 5/20 0.45
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
HTR1D P28221 2/20 0.41
HTR1B P28222 2/20 0.41
ADRA2B P18089 3/20 0.41
ADRA2A P08913 3/20 0.41
ADRA2C P18825 2/20 0.41
HTR2C P28335 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GAA P10253 3/20 0.39
RCE1 Q9Y256 1/20 0.39
PTGS1 P23219 2/20 0.38

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
SCHEMBL2399633 0.89 PTGDR2 (0.57) PTGDR2HTR1ASLC6A2SLC6A4SLC6A3
Ethylene Glycol SCHEMBL6933704 0.81 PTGDR2 (0.58) PTGDR2HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL555108 0.80 HTR1A (0.54) PTGDR2HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL4849477 0.79 KDM4E (0.47) PTGDR2KDM4EMAPTHTR2CGAA
SCHEMBL9377442 0.79 KDM4E (0.47) PTGDR2KDM4EMAPTHTR2CGAA
SCHEMBL8786474 0.79 KDM4E (0.47) PTGDR2KDM4EMAPTHTR2CGAA
SCHEMBL570948 0.79 KDM4E (0.47) PTGDR2KDM4EMAPTHTR2CGAA
SCHEMBL7598684 0.79 HTR1A (0.70) PTGDR2HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL11432983 0.77 SLC6A4 (0.50) PTGDR2HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL1067058 0.77 KDM4E (0.44) PTGDR2KDM4EMAPTHTR1DHTR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1191069-B1 Watersoluble monoazo dyestuffs, process for their preparation and their use DYSTAR TEXTILFARBEN GMBH & CO (DE) 2008-03-26 EP disclosed
EP-0401612-B1 Colour photographic recording material with a DIR coupler AGFA GEVAERT AG (DE) 1995-06-21 EP disclosed
EP-0401613-B1 Colour photographic recording material with a DIR coupler AGFA GEVAERT AG (DE) 1995-01-04 EP disclosed
US-5021332-A Rapid develoopment inhibitor release AGFA GEVAERT AKTIENGESELLSCHAFT (DE) 1991-06-04 US disclosed
US-5021331-A Development inhibitor releasing compound AGFA GEVAERT AKTIENGESELLSCHAFT (DE) 1991-06-04 US disclosed
EP-0401613-A2 Colour photographic recording material with a DIR coupler Agfa-Gevaert AG (DE) 1990-12-12 EP disclosed
EP-0401612-A2 Colour photographic recording material with a DIR coupler Agfa-Gevaert AG (DE) 1990-12-12 EP disclosed
EP-0064711-B1 DIPHENYL ETHER AZO COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS DYESTUFFS HOECHST AKTIENGESELLSCHAFT (DE) 1985-01-30 EP disclosed
EP-0064711-A1 Diphenyl ether azo compounds, process for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1982-11-17 EP disclosed