SCHEMBL382341

SCHEMBL382341

CCN(CC)c1ccc(-c2cc(-c3ccc(OC(=O)O)cc3)ccc2CCCNC2CCCC2)cc1C(C)(C)C

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RARB P10826 13/20 0.63
RARG P13631 13/20 0.63
RARA P10276 12/20 0.63
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 4/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
TDP1 Q9NUW8 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL383420 0.99 RARB (0.62) RARBRARGRARAALDH1A1KDM4E
SCHEMBL382538 0.97 RARG (0.67) RARBRARGRARAALDH1A1KDM4E
SCHEMBL382049 0.89 RARG (0.78) RARBRARGRARA
SCHEMBL382007 0.89 RARG (0.77) RARBRARGRARA
SCHEMBL383257 0.88 RARG (0.81) RARBRARGRARAALDH1A1KDM4E
SCHEMBL383570 0.87 RARG (0.62) RARBRARGRARAALDH1A1KDM4E
SCHEMBL382828 0.87 RARG (0.61) RARBRARGRARAALDH1A1KMT2A
SCHEMBL382166 0.86 RARB (0.64) RARBRARGRARAALDH1A1KDM4E
SCHEMBL382532 0.86 RARG (0.83) RARBRARGRARA
SCHEMBL382687 0.86 RARB (0.63) RARBRARGRARAALDH1A1KMT2A

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