SCHEMBL4136285

SCHEMBL4136285

C=COC(C)COc1ccc(C2(c3ccc(OCC(C)OC=C)c(CCC)c3)c3ccccc3-c3ccccc32)cc1CCC

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
OPRK1 P41145 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL4137620 0.91 ESR1 (0.35) ESR1ESR2KDM4EMEN1LMNA
SCHEMBL4143022 0.84 ESR1 (0.45) ESR1ESR2KDM4EMEN1LMNA
SCHEMBL23214350 0.83 ESR1 (0.40) ESR1ESR2KDM4EMEN1LMNA
SCHEMBL23214383 0.83 ESR1 (0.36) ESR1ESR2KDM4EMEN1LMNA
SCHEMBL4126295 0.82 ESR1 (0.40) ESR1ESR2KDM4EMEN1LMNA
SCHEMBL4143738 0.81 ESR1 (0.36) ESR1ESR2KDM4EMEN1LMNA
SCHEMBL6322725 0.81 ESR1 (0.33) ESR1ESR2
SCHEMBL4136963 0.81 PPARG (0.36) ESR1ESR2
SCHEMBL4139210 0.78 LMNA (0.40) ESR1ESR2KDM4EMEN1LMNA
SCHEMBL23214346 0.77 ESR1 (0.35) ESR1ESR2MEN1KMT2A

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