SCHEMBL382830

SCHEMBL382830

CC(C)(C)c1cc(-c2cc(-c3ccc(OC(=O)O)cc3)ccc2OCCO)ccc1N1CCCC1=O

nearest known ligand 0.82

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RARG P13631 18/20 0.82
RARB P10826 17/20 0.82
RARA P10276 16/20 0.82
SLC6A9 P48067 1/20 0.35
PPARG P37231 1/20 0.34

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
SCHEMBL382377 0.97 RARG (0.78) RARGRARBRARASLC6A9
SCHEMBL382738 0.90 RARG (1.00) RARGRARBRARA
SCHEMBL381948 0.89 RARG (0.96) RARGRARBRARA
SCHEMBL383438 0.86 RARG (0.78) RARGRARBRARASLC6A9
SCHEMBL382310 0.83 RARG (0.80) RARGRARBRARASLC6A9
SCHEMBL382355 0.82 RARG (0.80) RARGRARBRARASLC6A9
SCHEMBL382222 0.78 RARG (0.66) RARGRARBRARASLC6A9PPARG
Trifarotene SCHEMBL381493 0.77 RARG (1.00) RARGRARBRARA
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