SCHEMBL7769865

SCHEMBL7769865

C=CCC1(c2ccc3c(c2)C(C)(C)CCC3(C)C)COc2cc(OC(=O)OC)ccc21

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXRA P19793 8/20 0.36
PPARG P37231 4/20 0.36
RXRG P48443 3/20 0.36
RARB P10826 2/20 0.36
RARG P13631 2/20 0.36
RARA P10276 1/20 0.36
CYP3A4 P08684 3/20 0.36
CYP26B1 Q9NR63 6/20 0.35
CYP26A1 O43174 6/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
RXRB P28702 2/20 0.35

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
SCHEMBL7769497 0.90 RXRA (0.39) RXRARXRGRARBRARGRARA
SCHEMBL7770115 0.87 RXRA (0.38) RXRAPPARGRXRGRARBRARG
SCHEMBL7770182 0.86 PPARG (0.37) RXRAPPARGRXRGRARBRARG
SCHEMBL6733050 0.85 CYP3A4 (0.45) RXRARXRGRARBRARGRARA
SCHEMBL6733069 0.82 RXRA (0.50) RXRARXRGRARBRARGRARA
SCHEMBL7769613 0.81 RXRA (0.40) RXRAPPARGRXRGRARBRARG
SCHEMBL7769575 0.80 PPARG (0.35) RXRAPPARGCYP3A4CYP26B1CYP26A1
SCHEMBL7773833 0.79 RXRA (0.39) RXRAPPARGRXRGRARBRARG
SCHEMBL7769578 0.77 RXRA (0.41) RXRAPPARGRXRGRARBRARG
SCHEMBL7773881 0.77 CYP26B1 (0.42) RXRAPPARGRXRGRARBRARG

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
EP-0823903-B1 HETEROCYCLIC DIARYL COMPOUNDS, PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME, AND USES THEREOF CT INTERNAT DE RECH S (FR) 2001-07-18 EP claimed