SCHEMBL8750429

SCHEMBL8750429

CCc1ccc(COCc2ccc(CC)cc2CC)c(CC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2A6 P11509 1/20 0.39
SOD1 P00441 2/20 0.39
ALDH1A1 P00352 3/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
AKT1 P31749 1/20 0.37
DHFR P00374 1/20 0.37
BACE1 P56817 1/20 0.36
POLB P06746 1/20 0.36
GPR84 Q9NQS5 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL8750671 0.85 TDP1 (0.42) TRPA1CYP1A2CYP2A6SOD1ALDH1A1
SCHEMBL8750417 0.84 DHFR (0.41) TRPA1SOD1ALDH1A1NPC1LMNA
SCHEMBL444673 0.84 TRPA1 (0.48) TRPA1CYP1A2CYP2A6ALDH1A1NPC1
SCHEMBL6932491 0.83 TRPA1 (0.42) TRPA1CYP1A2CYP2A6SOD1ALDH1A1
Ethylene SCHEMBL27875997 0.79 TRPA1 (0.44) TRPA1CYP1A2CYP2A6ALDH1A1NPC1
SCHEMBL5050079 0.79 TRPA1 (0.44) TRPA1CYP1A2CYP2A6ALDH1A1NPC1
SCHEMBL8384809 0.77 TRPA1 (0.43) TRPA1CYP1A2CYP2A6ALDH1A1NPC1
SCHEMBL30242495 0.76 KAT2B (0.46) CYP1A2ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL606251 0.76 TRPA1 (0.46) TRPA1CYP1A2CYP2A6ALDH1A1NPC1
SCHEMBL11791277 0.76 TRPA1 (0.41) TRPA1CYP1A2CYP2A6ALDH1A1NPC1

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