SCHEMBL8340501

SCHEMBL8340501

C[C@H]1C[C@@]1(C)c1ccc2c(c1)C(C)(C)CCC2(C)C

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RXRA P19793 14/20 0.52
RXRB P28702 9/20 0.52
RXRG P48443 7/20 0.52
RARB P10826 5/20 0.52
RARG P13631 4/20 0.52
RARA P10276 3/20 0.52
PPARG P37231 1/20 0.52
CYP26B1 Q9NR63 7/20 0.43
CYP26A1 O43174 7/20 0.43
CYP3A4 P08684 2/20 0.39

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
SCHEMBL21018213 0.82 RXRA (0.60) RXRARXRBRXRGRARBRARG
SCHEMBL8331809 0.82 RXRA (0.60) RXRARXRBRXRGRARBRARG
SCHEMBL21017021 0.82 RXRA (0.60) RXRARXRBRXRGRARBRARG
SCHEMBL8332402 0.82 RXRA (0.60) RXRARXRBRXRGRARBRARG
SCHEMBL8332983 0.80 RXRA (0.48) RXRARXRBRXRGRARBRARG
SCHEMBL21017967 0.80 RXRA (0.48) RXRARXRBRXRGRARBRARG
SCHEMBL8332791 0.80 RXRA (0.48) RXRARXRBRXRGRARBRARG
SCHEMBL8606352 0.80 RXRA (0.48) RXRARXRBRXRGRARBRARG
SCHEMBL22106180 0.77 RXRA (0.55) RXRARXRBRXRGRARBRARG
SCHEMBL22076595 0.77 RXRA (0.55) RXRARXRBRXRGRARBRARG

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
WO-1999008992-A1 2,4-PENTADIENOIC ACID DERIVATIVES HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY ALLERGAN SALES, INC. (US) 1999-02-25 WO disclosed