SCHEMBL4654646

SCHEMBL4654646

CC1(C)CCC(C)(C)c2cc(-c3cc(-c4ccc(OC(=O)O)cc4)ccc3OCCCNC3CC3)ccc21

nearest known ligand 0.82

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RARG P13631 18/20 0.82
RARB P10826 9/20 0.82
RARA P10276 9/20 0.59
RXRA P19793 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL956282 0.90 RARG (1.00) RARGRARBRARARXRA
SCHEMBL4653856 0.89 RARG (0.64) RARGRARBRARARXRA
SCHEMBL955759 0.87 RARG (0.95) RARGRARBRARARXRA
SCHEMBL955261 0.87 RARG (0.94) RARGRARBRARARXRA
SCHEMBL956999 0.86 RARG (0.93) RARGRARBRARARXRA
SCHEMBL955718 0.85 RARG (0.81) RARGRARBRARARXRA
SCHEMBL4654649 0.84 RARG (0.62) RARGRARBRARARXRA
SCHEMBL4653506 0.84 RARG (0.62) RARGRARBRARARXRA
SCHEMBL4654747 0.84 RARG (0.61) RARGRARBRARARXRA
SCHEMBL7793753 0.84 RARG (0.64) 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 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