SCHEMBL7559832

SCHEMBL7559832

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

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RXRA P19793 17/20 0.48
RXRB P28702 4/20 0.48
RXRG P48443 4/20 0.48
RARA P10276 3/20 0.48
RARB P10826 3/20 0.48
RARG P13631 3/20 0.48
PPARG P37231 1/20 0.45
NR1H3 Q13133 1/20 0.45
HNF4A P41235 2/20 0.42
PLA2G4A P47712 2/20 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
SCHEMBL6473716 1.00 RXRA (0.48) RXRARXRBRXRGRARARARB
SCHEMBL6473429 0.93 RXRA (0.56) RXRARXRBRXRGRARARARB
SCHEMBL7559742 0.93 RXRA (0.56) RXRARXRBRXRGRARARARB
SCHEMBL7559820 0.92 RXRA (0.44) RXRARXRBRXRGRARARARB
SCHEMBL7559823 0.92 RXRA (0.44) RXRARXRBRXRGRARARARB
SCHEMBL6473487 0.90 RXRA (0.41) RXRARXRBRXRGRARARARB
SCHEMBL7561601 0.90 RXRA (0.41) RXRARXRBRXRGRARARARB
SCHEMBL6472611 0.83 RXRA (0.42) RXRARXRBRXRGRARARARB
SCHEMBL6526612 0.83 RXRA (0.42) RXRARXRBRXRGRARARARB
SCHEMBL7560526 0.83 RXRA (0.38) RXRARXRBRXRGRARARARB

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 6 patents. 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
EP-0986537-A2 NOVEL HETEROETHYNYLENE COMPOUNDS AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME Galderma Research & Development, S.N.C. (FR) 2000-03-22 EP claimed
WO-1999050239-A2 NOVEL HETEROETHYNYLENE COMPOUNDS AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 1999-10-07 WO claimed
EP-0986537-B1 NOVEL HETEROETHYNYLENE COMPOUNDS AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME GALDERMA RES & DEV (FR) 2002-08-07 EP disclosed
EP-0986537-A2 NOVEL HETEROETHYNYLENE COMPOUNDS AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME Galderma Research & Development, S.N.C. (FR) 2000-03-22 EP disclosed
WO-1999050239-A2 NOVEL HETEROETHYNYLENE COMPOUNDS AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 1999-10-07 WO disclosed