SCHEMBL7558629

SCHEMBL7558629

CCCOc1cc2c(cc1[Se]C#C/C(C)=C/C(=O)OCC)C(C)(C)CCC2(C)C

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RXRA P19793 18/20 0.46
RXRB P28702 6/20 0.46
RXRG P48443 6/20 0.46
RARG P13631 4/20 0.46
RARA P10276 3/20 0.46
RARB P10826 3/20 0.46
HNF4A P41235 4/20 0.35
PPARG P37231 1/20 0.33
NR1H3 Q13133 1/20 0.33
FDPS P14324 1/20 0.31

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
SCHEMBL6473196 1.00 RXRA (0.46) RXRARXRBRXRGRARGRARA
SCHEMBL7561601 0.93 RXRA (0.41) RXRARXRBRXRGRARGRARA
SCHEMBL6473487 0.93 RXRA (0.41) RXRARXRBRXRGRARGRARA
SCHEMBL6473035 0.91 RXRA (0.38) RXRARXRBRXRGRARGRARA
SCHEMBL7560526 0.91 RXRA (0.38) RXRARXRBRXRGRARGRARA
SCHEMBL7559742 0.89 RXRA (0.56) RXRARXRBRXRGRARGRARA
SCHEMBL6473429 0.89 RXRA (0.56) RXRARXRBRXRGRARGRARA
SCHEMBL7560511 0.87 RARG (0.41) RXRARXRBRXRGRARGRARA
SCHEMBL6478155 0.87 RARG (0.41) RXRARXRBRXRGRARGRARA
SCHEMBL7562918 0.87 RXRA (0.39) RXRARXRBRXRGRARGRARA

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-0986537-B1 NOVEL HETEROETHYNYLENE COMPOUNDS AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME GALDERMA RES & DEV (FR) 2002-08-07 EP claimed