SCHEMBL8750671

SCHEMBL8750671

CCc1ccc(COC)c(CC)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.42
POLB P06746 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
TRPA1 O75762 1/20 0.39
CYP1A2 P05177 2/20 0.38
SOD1 P00441 2/20 0.38
CYP2A6 P11509 1/20 0.38
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MAPT P10636 3/20 0.37
LMNA P02545 2/20 0.37
NPC1 O15118 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
AKT1 P31749 1/20 0.36
DHFR P00374 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALPL P05186 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL10015634 0.85 LMNA (0.41) TDP1POLBL3MBTL1SOD1ALDH1A1
SCHEMBL8750429 0.85 TRPA1 (0.40) TDP1POLBL3MBTL1TRPA1CYP1A2
SCHEMBL444673 0.82 TRPA1 (0.48) POLBL3MBTL1TRPA1CYP1A2CYP2A6
SCHEMBL6932491 0.82 TRPA1 (0.42) TDP1POLBL3MBTL1TRPA1CYP1A2
SCHEMBL4965724 0.80 LMNA (0.40) TDP1POLBL3MBTL1ALDH1A1MAPT
SCHEMBL28641995 0.80 TRPA1 (0.55) TDP1POLBL3MBTL1TRPA1CYP1A2
SCHEMBL19236833 0.80 IDO1 (0.44) SMN1; SMN2MAPTMEN1KMT2ATP53
SCHEMBL14614803 0.80 KDM4C (0.41) TDP1POLBL3MBTL1TRPA1CYP1A2
SCHEMBL12016025 0.80 SLC5A2 (0.39) TDP1POLBL3MBTL1TRPA1CYP1A2
Ethylene SCHEMBL27875997 0.78 TRPA1 (0.44) POLBL3MBTL1TRPA1CYP1A2CYP2A6

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