SCHEMBL8750508

SCHEMBL8750508

CCCC(OC(CCC)C(C)c1ccc(C)cc1)C(C)c1ccc(C)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
CHRNA7 P36544 1/20 0.38
STAT3 P40763 1/20 0.34
ACHE P22303 2/20 0.33
ALOX5 P09917 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
SLC6A3 Q01959 3/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP19A1 P11511 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ESR1 P03372 1/20 0.30
ESR2 Q92731 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
SCHEMBL8750447 0.84 CHRNA7 (0.40) CHRNA7STAT3ACHEALOX5TDP1
SCHEMBL8750378 0.82 AOC3 (0.41) SLC6A3SLC6A2SLC6A4LMNASMN1; SMN2
SCHEMBL8750487 0.79 ESR1 (0.39) CA12CA2CA9CHRNA7STAT3
SCHEMBL8750494 0.74 CHRNA7 (0.41) CA12CA2CA9CHRNA7ACHE
SCHEMBL10446001 0.73 CA12 (0.47) CA12CA2CA9CHRNA7STAT3
SCHEMBL8750532 0.72 SCN4A (0.34) CA2CA9SLC6A4LMNAESR1
SCHEMBL6546299 0.71 ACHE (0.53) CA2CA9CHRNA7STAT3ACHE
SCHEMBL9330269 0.70 CYP19A1 (0.46) CA12CA2CA9CHRNA7ACHE
SCHEMBL18613186 0.70 ESR1 (0.48) CA12CA2CA9CHRNA7ACHE
SCHEMBL12014018 0.68 AOC3 (0.37) CA12CA2CA9CHRNA7ACHE

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 4 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
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