SCHEMBL8919744

SCHEMBL8919744

CC(=CC(=O)O)c1cccc2c1C(C)(C)CCC2(C)C

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RXRA P19793 18/20 0.44
RARG P13631 13/20 0.44
RARB P10826 13/20 0.44
RXRB P28702 12/20 0.44
RXRG P48443 12/20 0.44
RARA P10276 8/20 0.41
PLA2G4A P47712 1/20 0.40
PPARG P37231 1/20 0.38

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
SCHEMBL6430449 0.79 RXRA (0.43) RXRARARGRARBRXRBRXRG
SCHEMBL7879971 0.79 TP53 (0.42) RXRARARGRARBRXRBRXRG
SCHEMBL7943904 0.78 RARB (0.67) RXRARARGRARBRXRBRXRG
SCHEMBL7943899 0.78 RARB (0.67) RXRARARGRARBRXRBRXRG
SCHEMBL7943902 0.78 RARB (0.67) RXRARARGRARBRXRBRXRG
SCHEMBL8919757 0.77 RXRA (0.38) RXRARARGRARBRXRBRXRG
SCHEMBL7778758 0.74 TP53 (0.43) RXRARARGRARBRXRBRXRG
SCHEMBL10775733 0.74 RARB (0.46) RXRARARGRARBRXRBRXRG
SCHEMBL10773071 0.73 RARB (0.49) RXRARARGRARBRXRBRXRG
SCHEMBL7876468 0.71 RXRA (0.66) RXRARARGRARBRXRBRXRG

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
EP-0802897-A1 NOVEL COMPOUNDS Smithkline Beecham S.p.A. (IT) 1997-10-29 EP disclosed
WO-1996021638-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM S.P.A. (IT) 1996-07-18 WO disclosed