SCHEMBL8750443

SCHEMBL8750443

CCCC(OC)c1ccc(C)cc1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.36
TAS1R1 Q7RTX1 2/20 0.36
TAS1R2 Q8TE23 1/20 0.36
ALDH1A1 P00352 2/20 0.34
AOC3 Q16853 1/20 0.34
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
NPBWR1 P48145 1/20 0.33
MCHR1 Q99705 1/20 0.33
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
TP53 P04637 2/20 0.32
TRPA1 O75762 1/20 0.32
LMNA P02545 1/20 0.32
CHRM1 P11229 1/20 0.32
SLC6A2 P23975 1/20 0.32
ADRA1A P35348 1/20 0.32
HTR2B P41595 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
SCHEMBL8750435 0.85 TAS1R3 (0.41) TAS1R3TAS1R1TAS1R2ALDH1A1AOC3
SCHEMBL11002884 0.80 ALDH1A1 (0.36) TAS1R3TAS1R1TAS1R2ALDH1A1SMN1; SMN2
SCHEMBL10822145 0.77 TP53 (0.46) TAS1R3TAS1R1TAS1R2SMN1; SMN2TP53
SCHEMBL639739 0.76 HDAC1 (0.48) TAS1R3TAS1R1TAS1R2
SCHEMBL7113967 0.75 SMN1; SMN2 (0.34) TAS1R3TAS1R1TAS1R2ALDH1A1SMN1; SMN2
SCHEMBL6055266 0.74 PDE5A (0.40) TAS1R3TAS1R1TAS1R2SMN1; SMN2TP53
SCHEMBL18241908 0.74 SMN1; SMN2 (0.35) TAS1R3TAS1R1TAS1R2SMN1; SMN2CA12
SCHEMBL12014018 0.73 AOC3 (0.37) ALDH1A1AOC3CA12CA2CA9
SCHEMBL9500123 0.72 TDP1 (0.39) TAS1R3TAS1R1TAS1R2ALDH1A1KDM4E
SCHEMBL23560916 0.72 TAS1R3 (0.35) TAS1R3TAS1R1TAS1R2ALDH1A1SMN1; SMN2

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