SCHEMBL8750381

SCHEMBL8750381

CCC(OC)c1cccc(C)c1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 4/20 0.37
ADRA2B P18089 4/20 0.37
ADRA2C P18825 4/20 0.37
ADRA1A P35348 3/20 0.37
ADRA1B P35368 3/20 0.37
ADRA1D P25100 2/20 0.37
KCNH2 Q12809 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
TSHR P16473 2/20 0.37
TP53 P04637 1/20 0.37
CYP2C19 P33261 1/20 0.37
ESR1 P03372 1/20 0.36
SLC6A2 P23975 2/20 0.36
HTR7 P34969 1/20 0.36
AOC3 Q16853 2/20 0.35
TRPA1 O75762 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL704366 0.85 ADRA2A (0.37) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL8441501 0.84 ESR1 (0.48) ADRA2AADRA2BADRA2CADRA1AKCNH2
SCHEMBL23560911 0.82 ADRA2A (0.33) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL2422880 0.79 ADRA2A (0.33) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL14582649 0.79 ADRA2A (0.33) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL29034726 0.78
SCHEMBL16670383 0.76 GABRA1 (0.46) ADRA2AADRA2BADRA2CCYP1A2CYP3A4
SCHEMBL5610783 0.75 ADRA2A (0.41) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL8427289 0.74 ADRA2A (0.43) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL16960536 0.74 SLC6A2 (0.41) ADRA2AADRA2BADRA2CADRA1AADRA1B

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 10 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
CN-1016432-B Salicylic acid copolymer and method for preparing metal salt thereof MITSUI TOATSU CHEMICAIS INC (JP) 1992-04-29 CN 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
CN-1051368-A Salicylic acid copolymers and its metal-salt and preparation method thereof contain the developer of this metal salts of copolymers and the colour developing paper of this developer of employing MITSUI TOATSU CHEMICALS (JP) 1991-05-15 CN disclosed
CN-87107802-A Salicylic acid copolymer and metal salt thereof, process for producing the same, color-developing agent containing the copolymer metal salt, and color-developing paper using the color-developing agent 1988-08-10 CN 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