SCHEMBL6236927

SCHEMBL6236927

CC1(C)CCC(C)(C)c2cc(-c3ccc(C(=O)OC(=O)c4ccccc4)cc3)c(-c3ccccc3)cc21

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RARB P10826 14/20 0.58
RARG P13631 10/20 0.58
RXRA P19793 9/20 0.58
RARA P10276 12/20 0.52
RXRB P28702 6/20 0.47
RXRG P48443 6/20 0.47
EGFR P00533 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
SCHEMBL6241853 0.92 RARB (0.53) RARBRARGRXRARARARXRB
SCHEMBL6244138 0.91 RXRA (0.60) RARBRARGRXRARARARXRB
SCHEMBL6243033 0.89 RARB (0.53) RARBRARGRXRARARARXRB
SCHEMBL6242987 0.88 RARB (0.49) RARBRARGRXRARARARXRB
SCHEMBL6239480 0.88 RARG (0.49) RARBRARGRXRARARARXRB
SCHEMBL6239181 0.85 RXRA (0.55) RARBRARGRXRARARARXRB
SCHEMBL6243493 0.84 RXRA (0.47) RARBRARGRXRARARARXRB
SCHEMBL6243135 0.84 RXRA (0.53) RARBRARGRXRARARARXRB
SCHEMBL6242125 0.81 RXRA (0.52) RARBRARGRXRARARARXRB
SCHEMBL6243517 0.80 RXRA (0.46) RARBRARGRXRARARARXRB

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