SCHEMBL6239783

SCHEMBL6239783

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

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HNF4A P41235 8/20 0.72
RXRA P19793 14/20 0.58
RARB P10826 8/20 0.49
RARG P13631 8/20 0.49
RARA P10276 6/20 0.49
RXRB P28702 2/20 0.45
RXRG P48443 2/20 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
SCHEMBL6273432 0.88 HNF4A (0.57) HNF4ARXRARARBRARGRARA
SCHEMBL6273701 0.86 HNF4A (0.60) HNF4ARXRARARBRARGRARA
SCHEMBL6239181 0.85 RXRA (0.55) HNF4ARXRARARBRARGRARA
SCHEMBL6239175 0.82 RXRA (0.67) HNF4ARXRARARBRARGRARA
SCHEMBL6239375 0.81 HNF4A (0.49) HNF4ARXRARARBRARGRARA
SCHEMBL6239045 0.79 RXRA (0.65) HNF4ARXRARARBRARGRARA
SCHEMBL6240826 0.78 RXRA (0.58) HNF4ARXRARARBRARGRARA
SCHEMBL6239279 0.78 RXRA (0.58) HNF4ARXRARARBRARGRARA
SCHEMBL6240820 0.77 RXRA (0.49) HNF4ARXRARARBRARGRARA
SCHEMBL6243135 0.76 RXRA (0.53) HNF4ARXRARARBRARGRARA

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