SCHEMBL383386

SCHEMBL383386

O=C(O)Oc1ccc(-c2ccc(OCCCO)c(-c3ccc(N4CCCC4)cc3)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RARG P13631 14/20 0.55
RARB P10826 13/20 0.55
RARA P10276 12/20 0.55
SLC6A9 P48067 1/20 0.40
ALDH1A1 P00352 3/20 0.38
HRH3 Q9Y5N1 2/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KCNH2 Q12809 1/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
PKM P14618 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL382998 0.87 RARG (0.70) RARGRARBRARA
SCHEMBL382310 0.83 RARG (0.80) RARGRARBRARASLC6A9
SCHEMBL382355 0.81 RARG (0.80) RARGRARBRARASLC6A9
SCHEMBL382857 0.81 RARG (0.80) RARGRARBRARA
SCHEMBL382810 0.81 RARG (0.59) RARGRARBRARASLC6A9MEN1
SCHEMBL382759 0.80 RARB (0.57) RARGRARBRARAHRH3HTT
SCHEMBL383438 0.78 RARG (0.78) RARGRARBRARASLC6A9
SCHEMBL383163 0.77 RARG (0.76) RARGRARBRARASLC6A9
SCHEMBL382651 0.77 RARG (0.60) RARGRARBRARASLC6A9
SCHEMBL383393 0.77 RARG (0.60) RARGRARBRARASLC6A9

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