SCHEMBL382560

SCHEMBL382560

CCN(CC)c1ccc(-c2cc(-c3ccc(OC(=O)O)cc3)ccc2OCCCCNC(C)C)cc1C(C)(C)C

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RARG P13631 16/20 0.62
RARB P10826 15/20 0.62
RARA P10276 14/20 0.62
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HRH3 Q9Y5N1 1/20 0.41
TDP1 Q9NUW8 1/20 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
SCHEMBL382264 0.90 RARG (0.77) RARGRARBRARA
SCHEMBL382183 0.88 RARG (0.80) RARGRARBRARA
SCHEMBL383242 0.87 RARG (0.79) RARGRARBRARA
SCHEMBL381528 0.87 RARG (0.79) RARGRARBRARA
SCHEMBL383570 0.86 RARG (0.62) RARGRARBRARAKDM4EALDH1A1
SCHEMBL381796 0.86 RARG (0.64) RARGRARBRARAKDM4EALDH1A1
SCHEMBL382393 0.85 RARG (0.55) RARGRARBRARAKDM4EALDH1A1
SCHEMBL382238 0.84 RARG (0.65) RARGRARBRARA
SCHEMBL382966 0.84 RARG (0.70) RARGRARBRARA
SCHEMBL382434 0.83 RARG (0.64) RARGRARBRARAKDM4EALDH1A1

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-1831149-B1 NOVEL LIGANDS THAT MODULATE RAR RECEPTORS AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RES & DEV (FR) 2012-01-25 EP claimed