SCHEMBL8750434

SCHEMBL8750434

CCCCC(OC(CCCC)c1ccc(C)cc1)c1ccc(C)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.44
CHRNA7 P36544 1/20 0.39
PTGES O14684 1/20 0.36
ALOX5 P09917 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
SLC2A1 P11166 2/20 0.36
HTT P42858 1/20 0.34
ACHE P22303 2/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
UTS2R Q9UKP6 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
FFAR1 O14842 1/20 0.33
BDKRB2 P30411 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL8750494 0.88 CHRNA7 (0.41) HRH3CHRNA7ALOX5ACHESLC6A2
SCHEMBL27435584 0.82 ESR1 (0.45) ACHESLC6A2SLC6A4TDP1
SCHEMBL8327891 0.82 SLC6A4 (0.37) HRH3SLC2A1SLC6A2SLC6A4BDKRB2
SCHEMBL7453749 0.82 POLB (0.44) SLC6A4
SCHEMBL11005234 0.80 HRH3 (0.39) HRH3PTGESALOX5PPARGPPARA
SCHEMBL27893880 0.79 CHRNA7 (0.35) CHRNA7ACHESLC6A2SLC6A4UTS2R
SCHEMBL9796283 0.79 UTS2R (0.43) HRH3PTGESALOX5PPARGPPARA
SCHEMBL8750631 0.79 CHRNA7 (0.44) CHRNA7ACHESLC6A2SLC6A4UTS2R
SCHEMBL28592224 0.78 SLC2A1 (0.36) SLC2A1
SCHEMBL8722411 0.77 AOC3 (0.41) SLC2A1SLC6A2SLC6A4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0523697-B1 Color-developing compositions and their use MITSUI TOATSU CHEMICALS (JP) 1997-04-02 EP disclosed
EP-0268878-B1 Salicylic acid copolymers and their metal salts, production process thereof, color-developing agents comprising metal salts of the copolymers and color-developing sheets employing the agents MITSUI TOATSU CHEMICALS (JP) 1996-01-31 EP disclosed
US-5447901-A Color-developing sheet: base material coated with composition of /a/ multivalent metal-modified salicylic acid resin formed from salicylic acid, a benzyl compound and optional styrene and /b/ analogous resin free of salicylic acid MITSUI TOATSU CHEMICAL, INC. (JP) 1995-09-05 US disclosed
US-5376615-A Pressure sensitive elements containing a salicylic acid resin and a phenolic resin MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1994-12-27 US disclosed
EP-0523697-A1 Color-developing compositions and their use MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-01-20 EP disclosed
US-5023366-A Reacted with a benzyl halide, alcohol or ether; for pressure sensitive elements MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1991-06-11 US disclosed
EP-0268878-A2 Salicylic acid copolymers and their metal salts, production process thereof, color-developing agents comprising metal salts of the copolymers and color-developing sheets employing the agents MITSUI TOATSU CHEMICALS, Inc. (JP) 1988-06-01 EP disclosed