SCHEMBL8679596

SCHEMBL8679596

CC1(C)CCC(C)(C)c2cc(-c3ccc(C(=O)O)c(NC=O)c3)ccc21

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RARB P10826 14/20 0.52
RARA P10276 14/20 0.52
RARG P13631 13/20 0.52
RXRA P19793 6/20 0.48
RXRB P28702 3/20 0.44
RXRG P48443 2/20 0.44
ABCB1 P08183 1/20 0.44
ABCC1 P33527 1/20 0.44

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
SCHEMBL10356134 0.75 RARG (0.64) RARBRARARARGRXRARXRB
SCHEMBL8329307 0.74 RARG (0.54) RARBRARARARGRXRARXRB
SCHEMBL5846340 0.73 RARB (0.77) RARBRARARARGRXRARXRB
SCHEMBL8665876 0.73 RARB (0.42) RARBRARARARGRXRA
SCHEMBL9551739 0.72 RARB (0.69) RARBRARARARGRXRARXRB
SCHEMBL9856398 0.72 RARB (0.62) RARBRARARARGRXRARXRB
SCHEMBL3590710 0.70 RARB (0.54) RARBRARARARGRXRARXRB
SCHEMBL7156350 0.70 RARB (0.50) RARBRARARARGRXRARXRB
SCHEMBL8679599 0.69 RARA (0.55) RARBRARARARGRXRARXRB
SCHEMBL10549628 0.69 RARG (0.57) RARBRARARARGRXRARXRB

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
US-5728739-A LIGANDS WITH AFFINITY FOR RETINOIC ACID RECEPTORS IN SYNERGISTIC COMBINATION WITH A FATTY ACID, TREATMENT OF DIABETES, CARDIOVASCULAR DISEASE, ATHEROSCLEROSIS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1998-03-17 US disclosed