SCHEMBL4136963

SCHEMBL4136963

C=COCCCOc1ccc(C2(c3ccc(OCCCOC=C)c(CCC)c3)c3ccccc3-c3ccccc32)cc1CCC

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARG P37231 15/20 0.36
PPARA Q07869 8/20 0.36
PPARD Q03181 5/20 0.36
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
CNR2 P34972 1/20 0.33
PDK2 Q15119 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
SCHEMBL4143738 0.94 ESR1 (0.36) PPARGPPARAPPARDESR1ESR2
SCHEMBL4140256 0.91 ESR1 (0.36) ESR1ESR2CNR2PDK2
SCHEMBL15356199 0.90 CNR2 (0.35) ESR1ESR2CNR2PDK2
SCHEMBL16118003 0.86 PDK2 (0.38) PPARGPPARAPPARDESR1ESR2
SCHEMBL15356205 0.86 ESR1 (0.39) ESR1ESR2CNR2PDK2
SCHEMBL4125755 0.85 ESR1 (0.37) ESR1ESR2CNR2
SCHEMBL4129489 0.84 ESR1 (0.47) PPARGPPARAPPARDESR1ESR2
SCHEMBL4126295 0.83 ESR1 (0.40) ESR1ESR2PDK2
SCHEMBL383150 0.82 ESR1 (0.42) PPARGPPARAPPARDESR1ESR2
SCHEMBL29356541 0.82 ESR1 (0.42) PPARGPPARAPPARDESR1ESR2

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
US-20090068569-A1 Resin composition for hologram recording material, hologram recording material, and method for producing hologram recording medium NIPPON PAINT CO., LTD. 2009-03-12 US disclosed