SCHEMBL8699477

SCHEMBL8699477

NCCc1ccc(OCC=C(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 10/20 0.54
PPARG P37231 8/20 0.53
PPARA Q07869 8/20 0.53
MAOB P27338 2/20 0.46
LTA4H P09960 1/20 0.45

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
SCHEMBL8893413 0.91 PPARD (0.52) PPARDPPARGPPARALTA4H
Oxalic Acid SCHEMBL8894562 0.86 PPARD (0.54) PPARDPPARGPPARA
SCHEMBL12442803 0.78 PPARD (0.55) PPARDPPARGPPARA
SCHEMBL25806392 0.78 TAAR1 (0.52) MAOB
SCHEMBL6527568 0.75 PPARD (0.75) PPARDPPARGPPARA
SCHEMBL27188462 0.75 TAAR1 (0.55) MAOB
SCHEMBL8693279 0.74 PPARD (0.48) PPARDPPARGPPARA
SCHEMBL13886619 0.74 MAPT (0.57) PPARGLTA4H
SCHEMBL6474343 0.72 PPARD (0.92) PPARDPPARGPPARA
SCHEMBL6474345 0.72 PPARD (0.92) PPARDPPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997048674-A1 DIARYL ANTIMICROBIAL AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1997-12-24 WO claimed
US-5773469-A Diaryl antimicrobial agents ORTHO PHARMACEUTICAL CORPORATION (US) 1998-06-30 US disclosed