SCHEMBL7561601

SCHEMBL7561601

CCCCCCOc1cc2c(cc1[Se]C#C/C(C)=C/C(=O)OCC)C(C)(C)CCC2(C)C

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RXRA P19793 18/20 0.41
PPARG P37231 1/20 0.41
NR1H3 Q13133 1/20 0.41
RXRB P28702 4/20 0.40
RXRG P48443 4/20 0.40
RARA P10276 2/20 0.40
RARB P10826 2/20 0.40
RARG P13631 2/20 0.40
HNF4A P41235 4/20 0.40

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
SCHEMBL6473487 1.00 RXRA (0.41) RXRAPPARGNR1H3RXRBRXRG
SCHEMBL6473035 0.94 RXRA (0.38) RXRAPPARGNR1H3RXRBRXRG
SCHEMBL7560526 0.94 RXRA (0.38) RXRAPPARGNR1H3RXRBRXRG
SCHEMBL6473196 0.93 RXRA (0.46) RXRAPPARGNR1H3RXRBRXRG
SCHEMBL7558629 0.93 RXRA (0.46) RXRAPPARGNR1H3RXRBRXRG
SCHEMBL6473716 0.90 RXRA (0.48) RXRAPPARGNR1H3RXRBRXRG
SCHEMBL7559832 0.90 RXRA (0.48) RXRAPPARGNR1H3RXRBRXRG
SCHEMBL7560511 0.85 RARG (0.41) RXRAPPARGRXRBRXRGRARA
SCHEMBL6478155 0.85 RARG (0.41) RXRAPPARGRXRBRXRGRARA
SCHEMBL7562918 0.84 RXRA (0.39) RXRAPPARGRXRBRXRGRARA

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