SCHEMBL4143022

SCHEMBL4143022

C=COC(C)COc1ccc(C2(c3ccc(OCC(C)OC=C)c(C)c3)c3ccccc3-c3ccccc32)cc1C

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
SCN4A P35499 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
OPRK1 P41145 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PDK2 Q15119 1/20 0.31
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
L3MBTL1 Q9Y468 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 0.86 ESR1 (0.35) ESR1ESR2KMT2AKDM4EMEN1
SCHEMBL4136285 0.84 ESR1 (0.34) ESR1ESR2KMT2AKDM4EMEN1
SCHEMBL28359518 0.84 ESR1 (0.43) ESR1ESR2SCN4AKMT2AMEN1
SCHEMBL14816423 0.82 ESR1 (0.54) ESR1ESR2SCN4AKMT2AKDM4E
SCHEMBL29441932 0.82 ESR1 (0.54) ESR1ESR2SCN4AKMT2AKDM4E
SCHEMBL4139210 0.82 LMNA (0.40) ESR1ESR2KMT2AKDM4EMEN1
SCHEMBL23214389 0.81 ESR1 (0.48) ESR1ESR2SCN4AKMT2AKDM4E
SCHEMBL4125760 0.81 ESR1 (0.49) ESR1ESR2KMT2AKDM4EMEN1
SCHEMBL22215860 0.80 ESR1 (0.51) ESR1ESR2KMT2AKDM4EMEN1
SCHEMBL29849984 0.80 ESR1 (0.51) ESR1ESR2KMT2AKDM4EMEN1

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