SCHEMBL383282

SCHEMBL383282

CCOC(=O)c1ccc(-c2ccc(OCCCC=O)c(C(C)(C)C)c2)cc1-c1ccc(N2CCCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RARA P10276 10/20 0.46
RARB P10826 10/20 0.46
RARG P13631 10/20 0.46
SIRT2 Q8IXJ6 3/20 0.39
SIRT1 Q96EB6 2/20 0.39
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
PKM P14618 1/20 0.35
TSHR P16473 1/20 0.35
SLC6A9 P48067 1/20 0.35

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
SCHEMBL381962 0.80 RARA (0.44) RARARARBRARGSIRT2SIRT1
SCHEMBL382577 0.79 RARG (0.67) RARARARBRARGSIRT2SIRT1
SCHEMBL382163 0.74 HRH3 (0.43) SIRT2SIRT1ALDH1A1MAPTMEN1
SCHEMBL382759 0.73 RARB (0.57) RARARARBRARGSIRT2SIRT1
SCHEMBL380874 0.72 RARA (0.51) RARARARBRARGLMNA
SCHEMBL381872 0.71 RARG (0.80) RARARARBRARGSIRT2SIRT1
SCHEMBL381961 0.71 RARG (0.80) RARARARBRARGSIRT2SIRT1
SCHEMBL382160 0.71 RARG (0.81) RARARARBRARGSIRT2SIRT1
SCHEMBL382430 0.71 RARG (0.48) RARARARBRARGSIRT2SIRT1
SCHEMBL382839 0.70 RARG (0.44) RARARARBRARGMAPTSLC6A9

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 disclosed