SCHEMBL4654752

SCHEMBL4654752

CC(C)NCCCCOc1ccc(-c2ccc(OC(=O)O)cc2)cc1-c1ccc2c(c1)C(C)(C)CCC2(C)C

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RARG P13631 17/20 0.61
RARB P10826 9/20 0.61
RARA P10276 9/20 0.61
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
RXRA P19793 1/20 0.43
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL4653486 0.92 RARG (0.54) RARGRARBRARAKDM4EALDH1A1
SCHEMBL4655897 0.92 RARG (0.58) RARGRARBRARAKDM4EALDH1A1
SCHEMBL4654642 0.91 RARG (0.55) RARGRARBRARAKDM4EALDH1A1
SCHEMBL4653964 0.91 RARG (0.55) RARGRARBRARAKDM4EALDH1A1
SCHEMBL4653961 0.91 RARG (0.55) RARGRARBRARAKDM4EALDH1A1
SCHEMBL4654647 0.90 RARG (0.56) RARGRARBRARAKDM4EALDH1A1
SCHEMBL4653634 0.90 RARG (0.56) RARGRARBRARAKDM4EALDH1A1
SCHEMBL4655882 0.90 RARG (0.56) RARGRARBRARAKDM4EALDH1A1
SCHEMBL956001 0.90 RARG (0.76) RARGRARBRARARXRA
SCHEMBL4654669 0.90 RARG (0.55) RARGRARBRARAKDM4EALDH1A1

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