SCHEMBL8750468

SCHEMBL8750468

CCCC(Cc1ccccc1CC)OC(CCC)Cc1ccccc1CC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
CTSK P43235 3/20 0.36
TSHR P16473 2/20 0.35
GABRA1 P14867 2/20 0.34
GABRB2 P47870 2/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PPARG P37231 3/20 0.33
PPARA Q07869 3/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
MGLL Q99685 1/20 0.32
ADRA2A P08913 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
SCHEMBL8750371 0.83 TAAR1 (0.38) SLC6A2SLC6A4CTSKTSHRMAPT
SCHEMBL8750563 0.76 CTSK (0.50) SLC6A2SLC6A4CTSK
SCHEMBL15178121 0.74 TAS1R3 (0.42) TAS1R3TAS1R1SLC6A2SLC6A4TSHR
SCHEMBL8750431 0.72 TAS1R3 (0.40) TAS1R3TAS1R1CTSKTSHRL3MBTL1
SCHEMBL24148832 0.72 SIGMAR1 (0.40) SLC6A2SLC6A4POLB
SCHEMBL4629873 0.72 FOLH1 (0.50) CTSKTSHRL3MBTL1CA2ALDH1A1
SCHEMBL29390847 0.71 GABRA1 (0.58) GABRA1GABRB2MAPTNPSR1L3MBTL1
SCHEMBL25425763 0.71 GABRA1 (0.58) GABRA1GABRB2MAPTNPSR1L3MBTL1
SCHEMBL36294 0.71 GABRA1 (0.58) GABRA1GABRB2MAPTNPSR1L3MBTL1
SCHEMBL16064830 0.70 L3MBTL1 (0.36) SLC6A2SLC6A4GABRA1GABRB2MAPT

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 4 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
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