SCHEMBL24259929

SCHEMBL24259929

CCCc1ccc(C(=O)c2ccc3c(c2)C(C)(C)CCC3(C)C)cc1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RXRA P19793 11/20 0.67
RXRB P28702 7/20 0.67
RARB P10826 5/20 0.67
RXRG P48443 5/20 0.67
RARG P13631 4/20 0.67
CYP26B1 Q9NR63 7/20 0.58
CYP26A1 O43174 6/20 0.58
RARA P10276 3/20 0.58
CYP3A4 P08684 1/20 0.47

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
SCHEMBL16516895 0.86 CYP26B1 (0.71) RXRARXRBRARBRXRGRARG
SCHEMBL8733241 0.84 RARB (0.83) RXRARXRBRARBRXRGRARG
SCHEMBL16516229 0.83 RXRA (0.59) RXRARXRBRARBRXRGRARG
SCHEMBL10355868 0.82 RXRA (0.65) RXRARXRBRARBRXRGRARG
SCHEMBL2194599 0.80 RARB (0.82) RXRARXRBRARBRXRGRARG
SCHEMBL10355871 0.80 RXRA (1.00) RXRARXRBRARBRXRGRARG
SCHEMBL24259973 0.80 RXRA (0.77) RXRARXRBRARBRXRGRARG
SCHEMBL2897524 0.80 CYP26B1 (0.53) RXRARXRBRARBRXRGRARG
SCHEMBL16523407 0.79 RARB (0.74) RXRARXRBRARBRXRGRARG
SCHEMBL9746493 0.78 RARB (0.71) RXRARXRBRARBRXRGRARG

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-3044216-B1 NOVEL AND SPECIFIC INHIBITORS OF CYTOCHROME P450 26 RETINOIC ACID HYDROXYLASE UNIV WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2022-02-23 EP disclosed