SCHEMBL4125760

SCHEMBL4125760

C=COCOc1ccc(C2(c3ccc(OCOC=C)c(C)c3)c3ccccc3-c3ccccc32)cc1C

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.49
ESR2 Q92731 1/20 0.49
MAPT P10636 5/20 0.36
MEN1 O00255 3/20 0.36
LMNA P02545 3/20 0.36
KMT2A Q03164 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
OPRK1 P41145 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
XBP1 P17861 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
POLB P06746 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL4137407 0.89 ESR1 (0.48) ESR1ESR2MAPTMEN1LMNA
SCHEMBL4129489 0.88 ESR1 (0.47) ESR1ESR2MAPTMEN1LMNA
SCHEMBL4126313 0.85 ESR1 (0.38) ESR1ESR2MAPTMEN1LMNA
SCHEMBL29849984 0.84 ESR1 (0.51) ESR1ESR2MAPTMEN1LMNA
SCHEMBL22215860 0.84 ESR1 (0.51) ESR1ESR2MAPTMEN1LMNA
SCHEMBL15356198 0.83 ESR1 (0.43) ESR1ESR2MAPTMEN1LMNA
SCHEMBL4131849 0.82 ESR1 (0.55) ESR1ESR2MAPTMEN1LMNA
SCHEMBL4143022 0.81 ESR1 (0.45) ESR1ESR2MAPTMEN1LMNA
SCHEMBL16994995 0.80 ESR1 (0.52) ESR1ESR2MAPTMEN1LMNA
SCHEMBL29317741 0.80 ESR1 (0.52) ESR1ESR2MAPTMEN1LMNA

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