SCHEMBL6239279

SCHEMBL6239279

CCOc1cc2c(cc1-c1ccc(C(=O)c3c(Cl)cccc3C(=O)O)cc1)C(C)(C)CCC2(C)C

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RXRA P19793 12/20 0.58
HNF4A P41235 8/20 0.58
RARG P13631 6/20 0.43
RARB P10826 4/20 0.43
RARA P10276 3/20 0.43
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43

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 0.87 RXRA (0.67) RXRAHNF4ARARGRARBRARA
SCHEMBL6242408 0.80 RXRA (0.59) RXRAHNF4ARARGHCRTR1HCRTR2
SCHEMBL6243129 0.79 RXRA (0.55) RXRAHNF4ARARGRARBRARA
SCHEMBL6240826 0.79 RXRA (0.58) RXRAHNF4ARARGRARBRARA
SCHEMBL6239783 0.78 HNF4A (0.72) RXRAHNF4ARARGRARBRARA
SCHEMBL6239181 0.77 RXRA (0.55) RXRAHNF4ARARGRARBRARA
SCHEMBL6239276 0.77 RXRA (0.58) RXRAHNF4ARARGRARB
SCHEMBL6242707 0.75 RXRA (0.50) RXRAHNF4ARARGRARBRARA
SCHEMBL6240820 0.74 RXRA (0.49) RXRAHNF4ARARGRARBRARA
SCHEMBL6914152 0.74 RXRA (1.00) RXRAHNF4ARARGRARBRARA

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