SCHEMBL6560920

SCHEMBL6560920

CC1(C)CCC(C)(C)c2cc([Se]c3ccc(C(=O)O)cn3)c(COCCCCCO[Si](C)(C)C(C)(C)C)cc21

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXRA P19793 17/20 0.39
RXRB P28702 5/20 0.38
RXRG P48443 5/20 0.38
PPARG P37231 2/20 0.38
NR1H3 Q13133 1/20 0.38
RARG P13631 4/20 0.37
RARA P10276 3/20 0.37
RARB P10826 3/20 0.37
CYP26A1 O43174 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP26B1 Q9NR63 1/20 0.36
HNF4A P41235 1/20 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
SCHEMBL6032738 0.91 RARA (0.38) RXRARXRBRXRGPPARGNR1H3
SCHEMBL6033101 0.88 RXRA (0.47) RXRARXRBRXRGPPARGNR1H3
SCHEMBL6032995 0.79 RARA (0.40) RXRARXRBRXRGPPARGNR1H3
SCHEMBL6528077 0.78
SCHEMBL6033022 0.75 RARA (0.52) RXRARXRBRXRGPPARGNR1H3
SCHEMBL6032986 0.75 RXRA (0.59) RXRARXRBRXRGPPARGNR1H3
SCHEMBL6033001 0.75 RXRA (0.50) RXRARXRBRXRGPPARGNR1H3
SCHEMBL8040267 0.74 RXRA (0.32) RXRARXRBRXRGRARGRARA
SCHEMBL6473547 0.74 RXRA (0.32) RXRARXRBRXRGRARGRARA
SCHEMBL6033103 0.73 RXRA (0.45) RXRARXRBRXRGPPARGNR1H3

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-1086080-B1 DIARYLSELENIDE COMPOUNDS AND THEIR USE IN HUMAN OR VETERINARY MEDICINE AND IN COSMETICS GALDERMA RES & DEV (FR) 2004-08-25 EP disclosed