SCHEMBL6239181

SCHEMBL6239181

CCOc1cc2c(cc1-c1ccc(C(=O)OC(=O)c3ccccc3)cc1)C(C)(C)CCC2(C)C

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RXRA P19793 10/20 0.55
HNF4A P41235 7/20 0.55
RARB P10826 9/20 0.49
RARG P13631 9/20 0.49
RARA P10276 7/20 0.47
HCRTR1 O43613 1/20 0.44
HCRTR2 O43614 1/20 0.44
RXRB P28702 1/20 0.43
RXRG P48443 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
SCHEMBL6243135 0.91 RXRA (0.53) RXRAHNF4ARARBRARGRARA
SCHEMBL6240820 0.90 RXRA (0.49) RXRAHNF4ARARBRARGRARA
SCHEMBL6242710 0.87 HNF4A (0.41) RXRAHNF4ARARBRARGRARA
SCHEMBL6242411 0.86 RXRA (0.50) RXRAHNF4ARARBRARGRARA
SCHEMBL6236927 0.85 RARB (0.58) RXRARARBRARGRARARXRB
SCHEMBL6239783 0.85 HNF4A (0.72) RXRAHNF4ARARBRARGRARA
SCHEMBL6239175 0.84 RXRA (0.67) RXRAHNF4ARARBRARGRARA
SCHEMBL6244138 0.82 RXRA (0.60) RXRARARBRARGRARARXRB
SCHEMBL6240826 0.82 RXRA (0.58) RXRAHNF4ARARBRARGRARA
SCHEMBL6241853 0.81 RARB (0.53) RXRARARBRARGRARARXRB

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 4 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-2005016255-A2 SUBSTITUTED TETRAHYDROQUINOLINES, PHENYLACETIC ACIDS AND BENZOIC ACIDS AS HEPATOCYTE NUCLEAR FACTOR 4 (HNF-4 ) MODULATOR COMPOUNDS LIGAND PHARMACEUTICALS INCORPORATED (US) 2005-02-24 WO disclosed
WO-2005017185-A2 HEPATOCYTE NUCLEAR FACTOR 4α MODULATOR COMPOUNDS LIGAND PHARMCEUTICALS INCORPORATED (US) 2005-02-24 WO disclosed
WO-2005010202-A2 PHENYL ACETIC ACID DERIVATIVES AS HEPATOCYTE NUCLEAR FACTOR 4α (HNF-4α) MODULATOR COMPOUNDS LIGAND PHARMACUETICALS INCORPORATED (US) 2005-02-03 WO disclosed