SCHEMBL6561458

SCHEMBL6561458

CCc1nc([Se]c2cc3c(cc2OCCCCCCCC(=O)OC)C(C)(C)CCC3(C)C)ccc1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RXRA P19793 15/20 0.40
HNF4A P41235 4/20 0.39
PPARG P37231 3/20 0.39
NR1H3 Q13133 2/20 0.39
PPARA Q07869 1/20 0.35
LTB4R Q15722 1/20 0.35
CNR2 P34972 1/20 0.35
RARA P10276 1/20 0.34
RARB P10826 1/20 0.34
RARG P13631 1/20 0.34

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
SCHEMBL6562412 0.89 RXRA (0.40) RXRAHNF4APPARGNR1H3
SCHEMBL6560970 0.84 RXRA (0.40) RXRAHNF4APPARGNR1H3RARA
SCHEMBL6559941 0.84 RXRA (0.48) RXRAHNF4APPARGNR1H3RARA
SCHEMBL6561037 0.84 RXRA (0.41) RXRAHNF4APPARGNR1H3PPARA
SCHEMBL6560253 0.80 RXRA (0.37) RXRAHNF4ARARARARBRARG
SCHEMBL6562290 0.78 RXRA (0.48) RXRAHNF4APPARGNR1H3RARA
SCHEMBL6033253 0.78 RARA (0.41) RXRAHNF4APPARGNR1H3RARA
SCHEMBL6559816 0.78 RXRA (0.42) RXRAHNF4ARARARARBRARG
SCHEMBL6559937 0.78 RXRA (0.45) RXRAPPARGNR1H3RARARARB
SCHEMBL6033001 0.76 RXRA (0.50) RXRAHNF4APPARGNR1H3RARA

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 claimed