SCHEMBL4129489

SCHEMBL4129489

C=COCCCOc1ccc(C2(c3ccc(OCCCOC=C)c(C)c3)c3ccccc3-c3ccccc32)cc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
L3MBTL1 Q9Y468 6/20 0.36
HPGD P15428 5/20 0.36
TSHR P16473 3/20 0.36
MAPK1 P28482 1/20 0.36
MAPT P10636 9/20 0.34
KDM4E B2RXH2 4/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
OPRK1 P41145 1/20 0.34
TDP1 Q9NUW8 4/20 0.33
ALDH1A1 P00352 2/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PPARG P37231 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
SCHEMBL4137407 0.94 ESR1 (0.48) ESR1ESR2L3MBTL1HPGDTSHR
SCHEMBL15356198 0.89 ESR1 (0.43) ESR1ESR2L3MBTL1HPGDTSHR
SCHEMBL4125760 0.88 ESR1 (0.49) ESR1ESR2L3MBTL1HPGDTSHR
SCHEMBL4140256 0.86 ESR1 (0.36) ESR1ESR2L3MBTL1HPGDMAPK1
SCHEMBL15356205 0.85 ESR1 (0.39) ESR1ESR2L3MBTL1HPGDTSHR
SCHEMBL4136963 0.84 PPARG (0.36) ESR1ESR2PPARGPPARDPPARA
SCHEMBL29317741 0.83 ESR1 (0.52) ESR1ESR2L3MBTL1HPGDTSHR
SCHEMBL383359 0.82 ESR1 (0.55) ESR1ESR2L3MBTL1HPGDTSHR
SCHEMBL22215860 0.82 ESR1 (0.51) ESR1ESR2L3MBTL1HPGDTSHR
SCHEMBL29506867 0.82 ESR1 (0.55) ESR1ESR2L3MBTL1HPGDTSHR

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