SCHEMBL4143738

SCHEMBL4143738

C=COCCOc1ccc(C2(c3ccc(OCCOC=C)c(CCC)c3)c3ccccc3-c3ccccc32)cc1CCC

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
PPARG P37231 11/20 0.33
PPARA Q07869 7/20 0.33
PPARD Q03181 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
OPRK1 P41145 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CNR2 P34972 1/20 0.32
PDK2 Q15119 1/20 0.31

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
SCHEMBL4136963 0.94 PPARG (0.36) ESR1ESR2PPARGPPARAPPARD
SCHEMBL15356199 0.93 CNR2 (0.35) ESR1ESR2KDM4EMEN1LMNA
SCHEMBL4125755 0.91 ESR1 (0.37) ESR1ESR2KDM4EMEN1LMNA
SCHEMBL16118003 0.89 PDK2 (0.38) ESR1ESR2PPARGPPARAPPARD
SCHEMBL15356205 0.89 ESR1 (0.39) ESR1ESR2KDM4EMEN1LMNA
SCHEMBL4140256 0.85 ESR1 (0.36) ESR1ESR2KDM4EMEN1LMNA
SCHEMBL4126295 0.84 ESR1 (0.40) ESR1ESR2KDM4EMEN1LMNA
SCHEMBL383150 0.83 ESR1 (0.42) ESR1ESR2PPARGPPARAPPARD
SCHEMBL4137407 0.83 ESR1 (0.48) ESR1ESR2KDM4EMEN1LMNA
SCHEMBL29356541 0.83 ESR1 (0.42) ESR1ESR2PPARGPPARAPPARD

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