SCHEMBL5699588

SCHEMBL5699588

CCOC(=O)c1ccc(-c2ccc(OCCNC3CC3)cc2)cc1-c1ccc2c(c1)C(C)(C)CCC2(C)C

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RARG P13631 12/20 0.60
RARB P10826 9/20 0.60
RARA P10276 9/20 0.44
RXRA P19793 1/20 0.43
ALDH1A1 P00352 2/20 0.41
PPARG P37231 3/20 0.41
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL5699564 0.86 RARG (0.49) RARGRARBRARARXRAPPARG
SCHEMBL956426 0.86 RARG (0.76) RARGRARBRARARXRA
SCHEMBL5699630 0.85 RARG (0.48) RARGRARBRARARXRAPPARG
SCHEMBL5699604 0.85 RARG (0.47) RARGRARBRARARXRAPPARG
SCHEMBL5699620 0.83 RARG (0.47) RARGRARBRARARXRAALDH1A1
SCHEMBL955718 0.83 RARG (0.81) RARGRARBRARARXRA
SCHEMBL5699634 0.81 RARG (0.52) RARGRARBRARARXRA
SCHEMBL956961 0.81 RARG (0.77) RARGRARBRARARXRAALDH1A1
SCHEMBL955111 0.80 RARG (0.75) RARGRARBRARARXRAALDH1A1
SCHEMBL955261 0.78 RARG (0.94) RARGRARBRARARXRA

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-1692093-A1 BIPHENYL DERIVATIVES USEFUL AS LIGANDS THAT ACTIVATE THE RAR RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS Galderma Research & Development, S.N.C. (FR) 2006-08-23 EP disclosed
WO-2005056516-A1 BIPHENYL DERIVATIVES USEFUL AS LIGANDS THAT ACTIVATE THE RAR RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-06-23 WO disclosed