SCHEMBL1406828

SCHEMBL1406828

CN1CCN(c2cc(C/C=C(/O)c3ccc(C(=O)O)cc3)cc3c2C(C)(C)CCC3(C)C)CC1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RXRA P19793 14/20 0.43
RXRB P28702 8/20 0.43
RXRG P48443 6/20 0.43
RARB P10826 8/20 0.43
RARG P13631 7/20 0.43
RARA P10276 6/20 0.43
HNF4A P41235 2/20 0.40

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
SCHEMBL1406668 0.89 RXRA (0.41) RXRARXRBRXRGRARBRARG
SCHEMBL1406423 0.76 RARB (0.48) RXRARARBRARGRARA
SCHEMBL1406424 0.76 RARB (0.48) RXRARARBRARGRARA
SCHEMBL5047887 0.74 RARB (0.60) RXRARXRBRXRGRARBRARG
SCHEMBL1406780 0.74 RARB (0.62) RXRARXRBRXRGRARBRARG
SCHEMBL1406779 0.74 RARB (0.62) RXRARXRBRXRGRARBRARG
SCHEMBL1406590 0.72 RARB (0.46) RXRARXRBRARBRARGRARA
SCHEMBL5047666 0.71 RARB (0.64) RXRARXRBRARBRARGRARA
SCHEMBL10339717 0.69 RXRA (0.58) RXRARXRBRXRGRARBRARG
SCHEMBL10339718 0.69 RXRA (0.58) 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-1513793-B1 NOVEL LIGANDS THAT ARE INHIBITORS OF THE RAR RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RES & DEV (FR) 2011-03-09 EP claimed