SCHEMBL8893413

SCHEMBL8893413

NCCCc1ccc(OCC=C(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 10/20 0.52
PPARG P37231 8/20 0.51
PPARA Q07869 8/20 0.51
LTA4H P09960 2/20 0.43
EPHX2 P34913 1/20 0.43
ESR1 P03372 1/20 0.43
MAOA P21397 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
Oxalic Acid SCHEMBL8894562 0.95 PPARD (0.54) PPARDPPARGPPARAESR1
SCHEMBL8699477 0.91 PPARD (0.54) PPARDPPARGPPARALTA4H
SCHEMBL12442803 0.75 PPARD (0.55) PPARDPPARGPPARA
SCHEMBL453501 0.75 FFAR1 (0.63) LTA4HEPHX2MAOA
SCHEMBL3172626 0.73 LTA4H (0.70) LTA4HEPHX2MAOA
SCHEMBL6527568 0.73 PPARD (0.75) PPARDPPARGPPARAESR1
SCHEMBL8693279 0.72 PPARD (0.48) PPARDPPARGPPARA
SCHEMBL4658022 0.72 FFAR1 (0.62) LTA4HMAOA
SCHEMBL2025420 0.71 MAOA (0.57) LTA4HMAOA
SCHEMBL11764067 0.70 LTA4H (0.50) LTA4H

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
WO-1997048674-A1 DIARYL ANTIMICROBIAL AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1997-12-24 WO claimed