SCHEMBL274502

SCHEMBL274502

CC(C)(OCCCCO)OCc1ccc(O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.40
CA2 P00918 1/20 0.38
IDO1 P14902 2/20 0.37
ESR2 Q92731 4/20 0.37
CNR1 P21554 1/20 0.36
CALM1 P0DP23 1/20 0.35
NR5A1 Q13285 1/20 0.35
SHBG P04278 2/20 0.34
ADRA2A P08913 2/20 0.33
ADORA3 P0DMS8 2/20 0.33
TACR2 P21452 2/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
LTA4H P09960 1/20 0.33
BLM P54132 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL22853744 0.84 ESR1 (0.54) ESR1CA2IDO1ESR2SHBG
SCHEMBL22833483 0.84 ESR1 (0.54) ESR1CA2IDO1ESR2SHBG
SCHEMBL22833487 0.78 CYP4F2 (0.46) MEN1KMT2AALDH1A1LMNAHSD17B10
SCHEMBL13973832 0.74 PPARG (0.44) ESR1CA2IDO1ESR2LTA4H
SCHEMBL2452819 0.72 ESR1 (0.54) ESR1CA2IDO1ESR2SLC6A2
SCHEMBL19662533 0.71 CYP4F2 (0.38) MEN1KMT2AALDH1A1LMNAHSD17B10
SCHEMBL21100525 0.69 CALM1 (0.38) ESR1CA2ESR2CALM1SHBG
SCHEMBL27936976 0.68 CALM1 (0.52) ESR1CA2ESR2CALM1SHBG
SCHEMBL12516863 0.68 ESR1 (0.46) ESR1CA2ESR2CALM1SHBG
SCHEMBL1841826 0.67 NR5A1 (0.50) ESR1ESR2NR5A1SHBGADRA2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8133654-B2 Laser-decomposable resin composition and laser-decomposable pattern-forming material and flexographic printing plate precursor of laser engraving type using the same FUJIFILM CORPORATION (JP) 2012-03-13 US disclosed
US-8133654-B2 Laser-decomposable resin composition and laser-decomposable pattern-forming material and flexographic printing plate precursor of laser engraving type using the same FUJIFILM CORPORATION (JP) 2012-03-13 US disclosed
US-7531291-B2 heat-decomposable cured polyurethane having an aromatic group is directly connected to a urethane bond; high sensitivity to easily form a pattern FUJIFILM CORPORATION (JP) 2009-05-12 US disclosed
US-7531291-B2 heat-decomposable cured polyurethane having an aromatic group is directly connected to a urethane bond; high sensitivity to easily form a pattern FUJIFILM CORPORATION (JP) 2009-05-12 US disclosed
US-20090099320-A1 LASER-DECOMPOSABLE RESIN COMPOSITION AND LASER-DECOMPOSABLE PATTERN-FORMING MATERIAL AND FLEXOGRAPHIC PRINTING PLATE PRECURSOR OF LASER ENGRAVING TYPE USING THE SAME FUJIFILM CORPORATION (JP) 2009-04-16 US disclosed
US-20090099320-A1 LASER-DECOMPOSABLE RESIN COMPOSITION AND LASER-DECOMPOSABLE PATTERN-FORMING MATERIAL AND FLEXOGRAPHIC PRINTING PLATE PRECURSOR OF LASER ENGRAVING TYPE USING THE SAME FUJIFILM CORPORATION (JP) 2009-04-16 US disclosed
US-20080057437-A1 heat-decomposable cured polyurethane having an aromatic group is directly connected to a urethane bond; high sensitivity to easily form a pattern FUJIFILM CORPORATION (JP) 2008-03-06 US disclosed
US-20080057437-A1 heat-decomposable cured polyurethane having an aromatic group is directly connected to a urethane bond; high sensitivity to easily form a pattern FUJIFILM CORPORATION (JP) 2008-03-06 US disclosed
EP-1894957-A1 Laser-decomposable resin composition and laser-decomposable pattern-forming material and flexographic printing plate precursor of laser engraving type using the same FUJIFILM Corporation (JP) 2008-03-05 EP disclosed