SCHEMBL5698013

SCHEMBL5698013

CCOc1cccc(-c2ccccc2-c2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.55
RXRB P28702 1/20 0.55
TP53 P04637 2/20 0.52
CYP3A4 P08684 1/20 0.52
KDM4E B2RXH2 1/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
THRB P10828 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
LTA4H P09960 1/20 0.50
PTGS2 P35354 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
BRD4 O60885 1/20 0.49
BRD2 P25440 1/20 0.49
CREBBP Q92793 1/20 0.49
NOTUM Q6P988 1/20 0.49
FABP4 P15090 5/20 0.48
FABP5 Q01469 3/20 0.47
FGFR1 P11362 1/20 0.47
FGFR2 P21802 1/20 0.47

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
Phenetole SCHEMBL27620099 0.88 LTA4H (0.65) RXRARXRBTP53CYP3A4KDM4E
SCHEMBL203120 0.86 RXRA (0.70) RXRARXRBTP53CYP3A4KDM4E
SCHEMBL30338775 0.86 RXRA (0.70) RXRARXRBTP53CYP3A4KDM4E
SCHEMBL6313369 0.86 BRD4 (0.50) RXRARXRBTP53CYP3A4KDM4E
SCHEMBL398405 0.84 TP53 (0.56) RXRARXRBTP53CYP3A4KDM4E
SCHEMBL11017769 0.84 RXRA (0.51) RXRARXRBTP53CYP3A4KDM4E
SCHEMBL9905755 0.84 MAPT (0.48) RXRARXRBTP53CYP3A4KDM4E
SCHEMBL27995883 0.84 RXRA (0.48) RXRARXRBTP53CYP3A4KDM4E
SCHEMBL9260410 0.84 RXRA (0.66) RXRARXRBTP53CYP3A4KDM4E
SCHEMBL29426410 0.84 RXRA (0.66) RXRARXRBTP53CYP3A4KDM4E

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
EP-1689906-A1 METHOD OF PREPARING A METAL-SILICONE RUBBER COMPOSITE Dow Corning Corporation (US) 2006-08-16 EP disclosed
EP-1680482-A1 SILICONE COMPOSITION AND POLYMER DISPERSED LIQUID CRYSTAL Dow Corning Corporation (US) 2006-07-19 EP disclosed
WO-2005056871-A1 METHOD OF PREPARING A METAL-SILICONE RUBBER COMPOSITE DOW CORNING CORPORATION (US) 2005-06-23 WO disclosed
WO-2005044950-A1 SILICONE COMPOSITION AND POLYMER DISPERSED LIQUID CRYSTAL DOW CORNING CORPORATION (US) 2005-05-19 WO disclosed