SCHEMBL8898043

SCHEMBL8898043

CC1(C)CCC(C)(C)c2cc(C(=NO)c3ccc(C(=O)O)cc3)c(OCc3ccccc3)cc21

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RXRA P19793 17/20 0.65
RXRG P48443 8/20 0.65
RXRB P28702 7/20 0.65
HNF4A P41235 6/20 0.57
CYP26A1 O43174 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP26B1 Q9NR63 1/20 0.51

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
SCHEMBL6917253 1.00 RXRA (0.65) RXRARXRGRXRBHNF4ACYP26A1
SCHEMBL6913487 1.00 RXRA (0.65) RXRARXRGRXRBHNF4ACYP26A1
SCHEMBL6913687 0.92 RXRA (0.60) RXRARXRGRXRBHNF4ACYP26A1
SCHEMBL6913425 0.90 RXRA (0.58) RXRARXRGRXRBHNF4A
SCHEMBL6909567 0.89 RXRA (0.69) RXRARXRGRXRBHNF4A
SCHEMBL6910100 0.89 RXRA (0.69) RXRARXRGRXRBHNF4A
SCHEMBL6915899 0.86 RXRA (0.76) RXRARXRGRXRBHNF4A
SCHEMBL6910041 0.85 RXRA (0.69) RXRARXRGRXRBHNF4A
SCHEMBL6915796 0.83 RXRA (0.65) RXRARXRGRXRBHNF4A
SCHEMBL6915944 0.83 RXRA (0.75) RXRARXRGRXRBHNF4A

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
WO-1997012853-A1 DIMER-SELECTIVE RXR MODULATORS AND METHODS FOR THEIR USE LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-04-10 WO claimed