SCHEMBL4259277

SCHEMBL4259277

CCc1cc2c(c(Cl)c1Cl)O2

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AHR P35869 9/20 0.47
CTRC Q99895 1/20 0.32
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 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
SCHEMBL4249338 0.75 AHR (0.36) AHR
SCHEMBL4252719 0.70 AHR (0.47) AHRGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5967950 0.69 AHR (0.86) AHR
SCHEMBL30118871 0.69 AHR (0.86) AHR
SCHEMBL29353218 0.69 AHR (0.86) AHR
SCHEMBL9579657 0.69 AHR (0.86) AHR
SCHEMBL4259279 0.68 AHR (0.50) AHR
SCHEMBL5588435 0.67 AHR (0.53) AHR
SCHEMBL16860554 0.67 CYP3A4 (0.50) AHRCTRCGRIN2DGRIN3BGRIN1
Acetic Acid SCHEMBL27538177 0.67 AHR (0.64) AHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090053616-A1 HOLOGRAPHIC RECORDING MEDIUM KABUSHIKI KAISHA TOSHIBA 2009-02-26 US disclosed