SCHEMBL5705158

SCHEMBL5705158

CC1(C)CCC(C)(C)c2cc3c(cc21)C(=O)CC(=O)C3=O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXRA P19793 14/20 0.36
RXRG P48443 7/20 0.36
RXRB P28702 7/20 0.36
RARA P10276 6/20 0.36
RARB P10826 8/20 0.35
RARG P13631 7/20 0.35
CYP26A1 O43174 3/20 0.35
CYP3A4 P08684 1/20 0.35
CRABP2 P29373 1/20 0.35
CYP26B1 Q9NR63 3/20 0.33
HIF1A Q16665 1/20 0.33
EPAS1 Q99814 1/20 0.33
BCHE P06276 1/20 0.32
CES1 P23141 1/20 0.32

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
SCHEMBL3061673 0.83 RXRA (0.39) RXRARXRGRXRBRARARARB
SCHEMBL8809982 0.81 HIF1A (0.41) RXRARXRGRXRBRARARARB
SCHEMBL8810467 0.72 CDC25B (0.41) RXRARXRGRXRBRARARARB
SCHEMBL8310387 0.72 RXRA (0.36) RXRARXRGRXRBRARARARB
SCHEMBL5009416 0.72 RXRA (0.41) RXRARXRGRXRBRARARARB
SCHEMBL29401105 0.72 RXRA (0.41) RXRARXRGRXRBRARARARB
SCHEMBL15665861 0.71 RXRA (0.41) RXRARXRGRXRBRARARARB
SCHEMBL7624438 0.71 PBRM1 (0.44) RXRARXRGRXRBRARARARB
Lithium SCHEMBL29602414 0.70 RXRA (0.40) RXRARXRGRXRBRARARARB
SCHEMBL11599145 0.69 RXRA (0.42) RXRARXRGRXRBRARARARB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1294945-B1 METHOD FOR DETECTING CYTOSINE METHYLATIONS EPIGENOMICS AG (DE) 2006-08-30 EP claimed