SCHEMBL383420

SCHEMBL383420

CCN(CC)c1ccc(-c2cc(-c3ccc(OC(=O)O)cc3)ccc2CCCNC2CCCCC2)cc1C(C)(C)C

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RARB P10826 12/20 0.62
RARG P13631 12/20 0.62
RARA P10276 11/20 0.62
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CNR1 P21554 3/20 0.36
CNR2 P34972 3/20 0.36

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
SCHEMBL382341 0.99 RARB (0.63) RARBRARGRARAALDH1A1KDM4E
SCHEMBL382538 0.96 RARG (0.67) RARBRARGRARAALDH1A1KDM4E
SCHEMBL382007 0.90 RARG (0.77) RARBRARGRARA
SCHEMBL383257 0.87 RARG (0.81) RARBRARGRARAALDH1A1KDM4E
SCHEMBL382687 0.87 RARB (0.63) RARBRARGRARAALDH1A1MEN1
SCHEMBL383570 0.86 RARG (0.62) RARBRARGRARAALDH1A1KDM4E
SCHEMBL382166 0.86 RARB (0.64) RARBRARGRARAALDH1A1KDM4E
SCHEMBL382532 0.85 RARG (0.83) RARBRARGRARA
SCHEMBL382215 0.84 RARG (0.77) RARBRARGRARA
SCHEMBL382732 0.83 RARG (0.65) RARBRARGRARA

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