SCHEMBL7119685

SCHEMBL7119685

O=C(O)c1cc(C2CCC3=C(CC3)C2)c(C(=O)O)c2c1CC2

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.32
ACMSD Q8TDX5 2/20 0.31
HCAR2 Q8TDS4 2/20 0.30

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
SCHEMBL12478008 0.80 ACMSD (0.41) MAPTACMSD
SCHEMBL253754 0.79 ACMSD (0.43) MAPTACMSD
SCHEMBL4566527 0.75 SCN9A (0.33) MAPT
SCHEMBL8629633 0.74 MAPT (0.32) MAPT
SCHEMBL754115 0.69 CYP1A2 (0.39) MAPT
SCHEMBL4566639 0.67 ACMSD (0.43) MAPTACMSD
SCHEMBL9338883 0.66 CYP3A4 (0.39) MAPTACMSD
SCHEMBL10716396 0.64 CYP3A4 (0.42) MAPT
SCHEMBL17798868 0.60 CYP1A2 (0.48) MAPTACMSD
SCHEMBL11217097 0.60 CA1 (0.47)

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-20040121054-A1 Method of preparing food CRYOVAC, INC. 2004-06-24 US disclosed