SCHEMBL16273645

SCHEMBL16273645

Cc1cc(OCc2ccccc2-n2nn[nH]c2=O)c(C)cc1O

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 6/20 0.39
HSP90AB1 P08238 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
FFAR4 Q5NUL3 4/20 0.32
COMT P21964 2/20 0.32
FFAR1 O14842 2/20 0.32
BRD4 O60885 1/20 0.31
MPO P05164 1/20 0.31

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
SCHEMBL17616600 0.91 MAPT (0.34) HSP90AA1PTGDR2FFAR4FFAR1BRD4
SCHEMBL16273648 0.91 HSP90AA1 (0.37) HSP90AA1HSP90AB1PTGDR2FFAR4FFAR1
SCHEMBL16273658 0.91 HSP90AA1 (0.38) HSP90AA1PTGDR2FFAR4COMTFFAR1
SCHEMBL16273757 0.91 HSP90AA1 (0.37) HSP90AA1HSP90AB1
SCHEMBL16273646 0.88 HSP90AA1 (0.42) HSP90AA1FFAR4FFAR1
SCHEMBL19646246 0.88 HSP90AA1 (0.39) HSP90AA1HSP90AB1
SCHEMBL19646176 0.86 SLC22A12 (0.37) HSP90AA1COMT
SCHEMBL17616581 0.85 HTR1A (0.37) HSP90AA1MPO
SCHEMBL17616596 0.85 FFAR1 (0.36) HSP90AA1PTGDR2FFAR4FFAR1MPO
SCHEMBL17616628 0.84 L3MBTL1 (0.41)

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-9675072-B2 Tetrazolinone compound and application of same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-06-13 US disclosed
EP-3029030-A1 TETRAZOLINONE COMPOUND, AND USE THEREFOR Sumitomo Chemical Company, Limited (JP) 2016-06-08 EP disclosed
EP-3006440-A1 TETRAZOLINONE COMPOUND AND APPLICATION OF SAME Sumitomo Chemical Company Limited (JP) 2016-04-13 EP disclosed
WO-2015016373-A1 TETRAZOLINONE COMPOUND, AND USE THEREFOR 住友化学株式会社 (JP) 2015-02-05 WO disclosed
WO-2014192953-A1 TETRAZOLINONE COMPOUND AND APPLICATION OF SAME 住友化学株式会社 (JP) 2014-12-04 WO disclosed