SCHEMBL6439846

SCHEMBL6439846

CC(C(=O)O)N1CC=C(c2cc(C(=O)C=Cc3ccc(C(=O)O)c(O)c3)cc3c2C(C)(C)CCC3(C)C)CC1.CC(C(=O)O)N1CC=C(c2cc(C(O)C#Cc3ccc(C(=O)O)c(O)c3)cc3c2C(C)(C)CCC3(C)C)CC1.CC(C)N1CCN(c2cc(C(=O)C=Cc3ccc(C(=O)O)cc3)cc3c2C(C)(C)CCC3(C)C)CC1.CC(C)N1CCN(c2cc(C(O)C=Cc3ccc(C(=O)O)cc3)cc3c2C(C)(C)CCC3(C)C)CC1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RARA P10276 1/20 0.34
RARB P10826 1/20 0.34
RARG P13631 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
SCHEMBL6421406 0.87 RARB (0.43) RARARARBRARG
SCHEMBL6439842 0.85
SCHEMBL6424618 0.83 RARA (0.37) RARARARBRARG
SCHEMBL6424615 0.83 RARA (0.37) RARARARBRARG
SCHEMBL6439824 0.83
SCHEMBL6422800 0.81 RARB (0.39) RARARARBRARG
SCHEMBL1407053 0.81 CCNT1 (0.34) RARARARBRARG
SCHEMBL1406365 0.81 RARB (0.43) RARARARBRARG
SCHEMBL1406361 0.81 RARB (0.43) RARARARBRARG
SCHEMBL6421410 0.80 RARB (0.40) RARARARBRARG

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1513793-A1 NOVEL LIGANDS THAT ARE INHIBITORS OF THE RAR RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS Galderma Research & Development, S.N.C. (FR) 2005-03-16 EP claimed
WO-2003101928-A1 NOVEL LIGANDS THAT ARE INHIBITORS OF THE RAR RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2003-12-11 WO claimed