SCHEMBL8693279

SCHEMBL8693279

[c]1ccc(OCC=C(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 17/20 0.48
PPARG P37231 13/20 0.48
PPARA Q07869 13/20 0.48
AOC3 Q16853 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37

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
SCHEMBL1286546 0.83 PPARD (0.43) PPARDPPARGPPARA
SCHEMBL12442803 0.79 PPARD (0.55) PPARDPPARGPPARA
SCHEMBL7123836 0.75 SIGMAR1 (0.51) PPARDPPARGPPARACHRNB2CHRNB4
SCHEMBL8699477 0.74 PPARD (0.54) PPARDPPARGPPARA
SCHEMBL921795 0.74 HTT (0.50)
SCHEMBL919252 0.74 KDM4E (0.43) MTNR1A
SCHEMBL8699482 0.73 PPARD (0.52) PPARDPPARGPPARA
SCHEMBL8893413 0.72 PPARD (0.52) PPARDPPARGPPARA
SCHEMBL7251505 0.70 MAOA (0.55) PPARDPPARGPPARAAOC3CHRNB4
SCHEMBL7248108 0.70 MAPT (0.59) PPARG

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-5773469-A Diaryl antimicrobial agents ORTHO PHARMACEUTICAL CORPORATION (US) 1998-06-30 US disclosed