SCHEMBL6239175

SCHEMBL6239175

CCOc1cc2c(cc1-c1ccc(C(=O)c3ccccc3C(=O)O)cc1)C(C)(C)CCC2(C)C

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXRA P19793 14/20 0.67
HNF4A P41235 7/20 0.67
LMNA P02545 1/20 0.56
HCRTR1 O43613 1/20 0.52
HCRTR2 O43614 1/20 0.52
RARB P10826 5/20 0.49
RARG P13631 5/20 0.49
RARA P10276 4/20 0.47
RXRB P28702 1/20 0.46
RXRG P48443 1/20 0.46
CDC25B P30305 1/20 0.45
ATM Q13315 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
SCHEMBL6243129 0.92 RXRA (0.55) RXRAHNF4ALMNAHCRTR1HCRTR2
SCHEMBL6240826 0.90 RXRA (0.58) RXRAHNF4ALMNAHCRTR1HCRTR2
SCHEMBL6239279 0.87 RXRA (0.58) RXRAHNF4AHCRTR1HCRTR2RARB
SCHEMBL6242707 0.86 RXRA (0.50) RXRAHNF4ALMNAHCRTR1HCRTR2
SCHEMBL6242408 0.86 RXRA (0.59) RXRAHNF4ALMNAHCRTR1HCRTR2
SCHEMBL6236924 0.85 CDC25B (0.59) RXRAHNF4ARARBRARGRARA
SCHEMBL6239181 0.84 RXRA (0.55) RXRAHNF4AHCRTR1HCRTR2RARB
SCHEMBL6236530 0.82 RXRA (0.57) RXRAHNF4ALMNAHCRTR1HCRTR2
SCHEMBL6244136 0.82 RXRA (0.62) RXRARARBRARGRARARXRB
SCHEMBL6239783 0.82 HNF4A (0.72) 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 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