SCHEMBL7769578

SCHEMBL7769578

CCCC=CCC1(c2ccc3c(c2)C(C)(C)CCC3(C)C)COc2cc(OC(=O)O)ccc21

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RXRA P19793 15/20 0.41
RXRG P48443 8/20 0.41
RARB P10826 4/20 0.41
RARG P13631 3/20 0.41
RARA P10276 3/20 0.41
CYP26B1 Q9NR63 6/20 0.38
CYP26A1 O43174 6/20 0.37
CYP3A4 P08684 2/20 0.37
RXRB P28702 8/20 0.37
HNF4A P41235 1/20 0.35
PPARG P37231 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
SCHEMBL7770115 0.91 RXRA (0.38) RXRARXRGRARBRARGRARA
SCHEMBL6736305 0.87 RXRA (0.47) RXRARXRGRARBRARGRARA
SCHEMBL6736308 0.87 RXRA (0.47) RXRARXRGRARBRARGRARA
SCHEMBL7769497 0.87 RXRA (0.39) RXRARXRGRARBRARGRARA
SCHEMBL6734231 0.84 CYP3A4 (0.42) RXRARXRGRARBRARGRARA
SCHEMBL6734227 0.84 CYP3A4 (0.42) RXRARXRGRARBRARGRARA
SCHEMBL7773881 0.83 CYP26B1 (0.42) RXRARXRGRARBRARGRARA
SCHEMBL7773852 0.83 RXRA (0.38) RXRARXRGRARBRARGRARA
SCHEMBL7771786 0.78 RXRA (0.44) RXRARXRGRARBRARGRARA
SCHEMBL7769865 0.77 RXRA (0.36) RXRARXRGRARBRARGRARA

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-0823903-B1 HETEROCYCLIC DIARYL COMPOUNDS, PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME, AND USES THEREOF CT INTERNAT DE RECH S (FR) 2001-07-18 EP claimed