SCHEMBL4655873

SCHEMBL4655873

CC1(C)CCC(C)(C)c2cc(-c3cc(-c4ccc(OC(=O)O)cc4)ccc3OCCCCN3CCCC3)ccc21

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RARG P13631 14/20 0.61
RARB P10826 6/20 0.61
RARA P10276 5/20 0.61
HRH3 Q9Y5N1 4/20 0.45
KCNH2 Q12809 2/20 0.45
HRH4 Q9H3N8 2/20 0.45
HRH1 P35367 1/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL957537 0.90 RARG (0.76) RARGRARBRARA
SCHEMBL957366 0.89 RARG (0.75) RARGRARBRARA
SCHEMBL4654752 0.84 RARG (0.61) RARGRARBRARAKDM4EALDH1A1
SCHEMBL4653856 0.83 RARG (0.64) RARGRARBRARA
SCHEMBL4654649 0.83 RARG (0.62) RARGRARBRARA
SCHEMBL4653506 0.83 RARG (0.62) RARGRARBRARA
SCHEMBL4653528 0.83 RARG (0.62) RARGRARBRARA
SCHEMBL4654747 0.82 RARG (0.61) RARGRARBRARA
SCHEMBL7793753 0.82 RARG (0.64) RARGRARBRARA
SCHEMBL4654765 0.80 RARG (0.59) RARGRARBRARA

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-1692093-B1 BIPHENYL DERIVATIVES USEFUL AS LIGANDS THAT ACTIVATE THE RAR RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RES & DEV (FR) 2008-11-19 EP claimed