SCHEMBL8846366

SCHEMBL8846366

Brc1ccccc1COc1ccc(-c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.59
FFAR1 O14842 4/20 0.59
FFAR4 Q5NUL3 3/20 0.59
IDO1 P14902 2/20 0.50
ALDH1A1 P00352 1/20 0.49
GSTP1 P09211 1/20 0.46
PTGER4 P35408 4/20 0.46
ANO1 Q5XXA6 3/20 0.45
PTPRC P08575 1/20 0.45
PTPN1 P18031 1/20 0.45
MMP3 P08254 1/20 0.42
F2 P00734 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
TMPRSS6 Q8IU80 1/20 0.42
ST14 Q9Y5Y6 1/20 0.42
LSS P48449 1/20 0.42

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
SCHEMBL1259945 0.88 PARP10 (0.62) PARP10FFAR1FFAR4IDO1ALDH1A1
SCHEMBL2291386 0.81 PARP10 (0.59) PARP10FFAR1FFAR4IDO1ALDH1A1
SCHEMBL2292141 0.81 PARP10 (0.59) PARP10FFAR1FFAR4IDO1ALDH1A1
SCHEMBL2293600 0.79 FFAR4 (0.60) PARP10FFAR1FFAR4IDO1ALDH1A1
SCHEMBL38654647 0.78 MAOB (0.65) PARP10IDO1GSTP1
SCHEMBL5606933 0.77 PARP10 (0.55) PARP10FFAR1FFAR4IDO1ALDH1A1
SCHEMBL2294503 0.77 PARP10 (0.55) PARP10FFAR1FFAR4IDO1ALDH1A1
SCHEMBL15774723 0.77 ALDH1A1 (0.59) PARP10FFAR1FFAR4IDO1ALDH1A1
SCHEMBL2291091 0.77 PARP10 (0.55) PARP10FFAR1FFAR4IDO1ALDH1A1
SCHEMBL17201429 0.77 CYP1A2 (0.54) PARP10FFAR1FFAR4IDO1ALDH1A1

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-5693859-A REACTING ORTHO-SUBSTITUTED PHENYL ALPHA-KETO ACID HALIDE WITH AN AMINE YIELDS SUBSTITUTED PHENYL ALPHA-KETAMIDE SHIONOGI & CO., LTD. (JP) 1997-12-02 US disclosed
EP-0535928-B1 Process for producing intermediates for use in production of alkoxyiminoacetamides SHIONOGI & CO (JP) 1996-05-01 EP disclosed
US-5502252-A FUNGICIDES FOR RICE AND CUCUMBERS SHIONOGI & CO., LTD. (JP) 1996-03-26 US disclosed
US-5387714-A Alpha-keto acid halide intermediate SHIONOGI & CO., LTD. (JP) 1995-02-07 US disclosed
EP-0535928-A2 Process for producing intermediates for use in production of alkoxyiminoacetamides SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1993-04-07 EP disclosed