SCHEMBL6244136

SCHEMBL6244136

Cc1cc2c(cc1-c1ccc(C(=O)c3ccccc3C(=O)O)cc1)C(C)(C)CCC2(C)C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 15/20 0.62
RARG P13631 7/20 0.62
RARB P10826 6/20 0.62
RXRB P28702 5/20 0.62
RXRG P48443 5/20 0.62
RARA P10276 4/20 0.62
CDC25B P30305 1/20 0.51
ATM Q13315 1/20 0.51
MEN1 O00255 1/20 0.50
CYP26A1 O43174 1/20 0.50
ABCB11 O95342 1/20 0.50
ESR1 P03372 1/20 0.50
PGR P06401 1/20 0.50
HTR1A P08908 1/20 0.50
ADRA2A P08913 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
CHRM1 P11229 1/20 0.50
DRD1 P21728 1/20 0.50
TBXA2R P21731 1/20 0.50
SLC6A2 P23975 1/20 0.50

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
SCHEMBL6236924 0.91 CDC25B (0.59) RXRARARGRARBRXRBRXRG
SCHEMBL6242127 0.87 RXRA (0.52) RXRARARGRARBRXRBRXRG
SCHEMBL6241850 0.87 RXRA (0.55) RXRARARGRARBRXRBRXRG
SCHEMBL6243030 0.84 RXRA (0.55) RXRARARGRARBRXRBRXRG
SCHEMBL6901726 0.83 RXRA (0.69) RXRARARGRARBRXRBRXRG
SCHEMBL6242986 0.83 RXRA (0.50) RXRARARGRARBRXRBRXRG
SCHEMBL6239175 0.82 RXRA (0.67) RXRARARGRARBRXRBRXRG
SCHEMBL6243489 0.81 RXRA (0.48) RXRARARGRARBRXRBRXRG
SCHEMBL6243783 0.81 HNF4A (0.60) RXRARARGRARBRXRBRXRG
SCHEMBL2128581 0.80 RXRA (0.68) RXRARARGRARBRXRBRXRG

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-2005017185-A2 HEPATOCYTE NUCLEAR FACTOR 4α MODULATOR COMPOUNDS LIGAND PHARMCEUTICALS INCORPORATED (US) 2005-02-24 WO disclosed