SCHEMBL8750435

SCHEMBL8750435

CCC(OC)c1ccc(C)cc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
TAS1R2 Q8TE23 1/20 0.41
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 2/20 0.36
AOC3 Q16853 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
TDP1 Q9NUW8 2/20 0.34
TP53 P04637 1/20 0.34
TRPA1 O75762 1/20 0.34
LMNA P02545 1/20 0.34
CHRM1 P11229 1/20 0.34
SLC6A2 P23975 1/20 0.34
ADRA1A P35348 1/20 0.34
HTR2B P41595 1/20 0.34
ACHE P22303 1/20 0.33
CRHR1 P34998 1/20 0.33
CASR P41180 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPBWR1 P48145 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
SCHEMBL8750443 0.85 TAS1R3 (0.36) TAS1R3TAS1R1TAS1R2ALDH1A1KDM4E
SCHEMBL23560916 0.82 TAS1R3 (0.35) TAS1R3TAS1R1TAS1R2ALDH1A1SMN1; SMN2
SCHEMBL22897735 0.81 ALDH1A1 (0.44) TAS1R3TAS1R1TAS1R2ALDH1A1AOC3
SCHEMBL11003959 0.79 TAS1R3 (0.38) TAS1R3TAS1R1TAS1R2ALDH1A1SMN1; SMN2
SCHEMBL14887945 0.78 IDO1 (0.40) TAS1R3TAS1R1TAS1R2LMNAL3MBTL1
SCHEMBL14887942 0.78 KDM4E (0.38) TAS1R3TAS1R1TAS1R2ALDH1A1KDM4E
SCHEMBL8441501 0.76 ESR1 (0.48) AOC3LMNACHRM1SLC6A2ADRA1A
SCHEMBL5610781 0.75 TDP1 (0.39) TAS1R3TAS1R1TAS1R2ALDH1A1SMN1; SMN2
SCHEMBL9500123 0.75 TDP1 (0.39) TAS1R3TAS1R1TAS1R2ALDH1A1KDM4E
SCHEMBL22897757 0.75 TSHR (0.50) ALDH1A1KDM4ETDP1LMNAL3MBTL1

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