SCHEMBL8750412

SCHEMBL8750412

CCOC(CC)c1ccccc1CC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
FFAR1 O14842 7/20 0.37
GABRA1 P14867 2/20 0.34
GABRB2 P47870 2/20 0.34
TSHR P16473 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KCNH2 Q12809 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
PTPRC P08575 1/20 0.33
CDC25B P30305 1/20 0.33
MGLL Q99685 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
SCHEMBL707358 0.81 MAPT (0.38) L3MBTL1MAPTNPSR1GABRA1GABRB2
SCHEMBL27648281 0.77 ALDH1A1 (0.40) MAPTTSHRCYP3A4MGLLTP53
SCHEMBL22444462 0.77 TSHR (0.57) L3MBTL1MAPTGABRA1GABRB2TSHR
SCHEMBL14236997 0.77 LMNA (0.40) L3MBTL1NPSR1TSHR
SCHEMBL22832551 0.75 POLB (0.43) MAPTFFAR1TSHRPOLB
SCHEMBL17695124 0.74 ALDH1A1 (0.49) L3MBTL1MAPTTSHR
SCHEMBL21175585 0.73 TAS1R3 (0.38) L3MBTL1MAPTNPSR1FFAR1GABRA1
SCHEMBL9276125 0.73 GABRA1 (0.41) L3MBTL1MAPTNPSR1GABRA1GABRB2
SCHEMBL12502029 0.72 L3MBTL1 (0.38) L3MBTL1MAPTNPSR1GABRA1GABRB2
SCHEMBL20103552 0.72 ALDH1A1 (0.36) L3MBTL1FFAR1GABRA1GABRB2SLC6A2

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