SCHEMBL6243129

SCHEMBL6243129

CCCOc1cc2c(cc1-c1ccc(C(=O)c3ccccc3C(=O)O)cc1)C(C)(C)CCC2(C)C

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RXRA P19793 14/20 0.55
HNF4A P41235 4/20 0.55
RARB P10826 5/20 0.50
RARG P13631 5/20 0.50
RARA P10276 3/20 0.50
LMNA P02545 1/20 0.46
HCRTR1 O43613 1/20 0.45
HCRTR2 O43614 1/20 0.45
RXRB P28702 1/20 0.45
RXRG P48443 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
SCHEMBL6239175 0.92 RXRA (0.67) RXRAHNF4ARARBRARGRARA
SCHEMBL6243135 0.84 RXRA (0.53) RXRAHNF4ARARBRARGRARA
SCHEMBL6236924 0.83 CDC25B (0.59) RXRAHNF4ARARBRARGRARA
SCHEMBL6240826 0.82 RXRA (0.58) RXRAHNF4ARARBRARGRARA
SCHEMBL5847021 0.81 RARB (0.59) RXRAHNF4ARARBRARGRARA
SCHEMBL8343614 0.80 RARG (0.56) RXRARARBRARGRARA
SCHEMBL6244136 0.80 RXRA (0.62) RXRARARBRARGRARARXRB
SCHEMBL6241850 0.79 RXRA (0.55) RXRAHNF4ARARBRARGRARA
SCHEMBL6239279 0.79 RXRA (0.58) RXRAHNF4ARARBRARGRARA
SCHEMBL6242707 0.79 RXRA (0.50) RXRAHNF4ARARBRARGRARA

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