SCHEMBL8750488

SCHEMBL8750488

COC(C)c1ccccc1C(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.46
GABRB2 P47870 2/20 0.46
GABRG2 P18507 2/20 0.42
GABRB3 P28472 2/20 0.42
FAAH O00519 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
GABRB1 P18505 1/20 0.42
PTGS1 P23219 1/20 0.42
SLC6A2 P23975 1/20 0.42
HTR2C P28335 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
HTR2B P41595 1/20 0.42
GABRA2 P47869 1/20 0.42

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
SCHEMBL5526822 0.92 GABRA1 (0.40) GABRA1GABRB2GABRG2GABRB3FAAH
SCHEMBL66162 0.81 GABRA1 (0.63) GABRA1GABRB2GABRG2GABRB3FAAH
SCHEMBL29429205 0.81 GABRA1 (0.63) GABRA1GABRB2GABRG2GABRB3FAAH
SCHEMBL2354738 0.80 GABRA1 (0.46) GABRA1GABRB2GABRG2GABRB3FAAH
SCHEMBL17800968 0.80 ALDH1A1 (0.46) GABRA1GABRB2CYP1A2CYP3A4CA1
SCHEMBL10589385 0.79 GABRA1 (0.56) GABRA1GABRB2GABRG2GABRB3FAAH
SCHEMBL15854157 0.78 ESR1 (0.54) GABRA1GABRB2CYP3A4CA1CA2
SCHEMBL28682070 0.78 ESR1 (0.54) GABRA1GABRB2CYP3A4CA1CA2
SCHEMBL705405 0.78 GABRA1 (0.44) GABRA1GABRB2GABRG2GABRB3FAAH
SCHEMBL7615003 0.78 ESR1 (0.54) GABRA1GABRB2CYP3A4CA1CA2

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