SCHEMBL8616281

SCHEMBL8616281

CC1(C)CCC(C)(C)c2cc(Sc3ccc(OC(=O)O)s3)ccc21

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RXRA P19793 15/20 0.54
RXRB P28702 12/20 0.54
RXRG P48443 10/20 0.54
RARB P10826 8/20 0.54
RARG P13631 8/20 0.54
CYP26A1 O43174 5/20 0.51
RARA P10276 6/20 0.38
CYP26B1 Q9NR63 3/20 0.38
CYP3A4 P08684 2/20 0.37
CRABP2 P29373 1/20 0.37

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
SCHEMBL7720638 0.81 RXRA (0.61) RXRARXRBRXRGRARBRARG
SCHEMBL28949691 0.72 RXRA (0.58) RXRARXRBRXRGRARBRARG
SCHEMBL7723487 0.71 RXRA (1.00) RXRARXRBRXRGRARBRARG
SCHEMBL8101815 0.68 RXRA (0.50) RXRARXRBRXRGRARBRARG
SCHEMBL7759680 0.68 RXRA (0.69) RXRARXRBRXRGRARBRARG
SCHEMBL17911573 0.68 CYP26A1 (1.00) RXRARXRBRXRGRARBRARG
SCHEMBL5681933 0.68 RARB (0.82) RXRARXRBRXRGRARBRARG
SCHEMBL7812840 0.66 RXRA (0.34) RXRARXRBRXRGRARBRARG
SCHEMBL24259972 0.66 CYP26A1 (0.76) RXRARXRBRXRGRARBRARG
SCHEMBL17911596 0.66 CYP26A1 (0.81) 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
EP-0679630-B1 Bicyclic aromatic compounds, pharmaceutical and cosmetic compositions containing them and uses CIRD GALDERMA (FR) 1998-05-06 EP claimed