SCHEMBL9501676

SCHEMBL9501676

CC(C)CCc1ccc(-c2ccc(C#N)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.57
HSD17B10 Q99714 1/20 0.57
MMP12 P39900 2/20 0.56
MMP13 P45452 2/20 0.56
CYP2A6 P11509 1/20 0.48
HRH3 Q9Y5N1 6/20 0.46
LOXL2 Q9Y4K0 2/20 0.46
KCNJ1 P48048 1/20 0.44
KCNH2 Q12809 1/20 0.44
KIF11 P52732 1/20 0.44
MMP3 P08254 1/20 0.44
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
LSS P48449 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
SCHEMBL13617597 0.94 CYP2A6 (0.54) TSHRHSD17B10MMP12MMP13CYP2A6
SCHEMBL10773411 0.84 TSHR (0.57) TSHRHSD17B10MMP12MMP13CYP2A6
SCHEMBL10534508 0.84 TSHR (0.57) TSHRHSD17B10MMP12MMP13CYP2A6
SCHEMBL14672105 0.84 MMP12 (0.62) TSHRHSD17B10MMP12MMP13
SCHEMBL26818468 0.83 TSHR (0.54) TSHRHSD17B10MMP12MMP13CYP2A6
SCHEMBL23543251 0.83 TSHR (0.55) TSHRHSD17B10MMP12MMP13CYP2A6
SCHEMBL21096330 0.83 TSHR (0.55) TSHRHSD17B10MMP12MMP13CYP2A6
SCHEMBL26601784 0.83 TSHR (0.55) TSHRHSD17B10MMP12MMP13CYP2A6
SCHEMBL11412039 0.83 TSHR (0.59) TSHRHSD17B10MMP12MMP13CYP2A6
SCHEMBL21652390 0.81 TSHR (0.57) TSHRHSD17B10MMP12MMP13CYP2A6

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-59001586-A None JP disclosed
EP-0307866-B1 DICHROIC COLORING AGENTS FOR LIQUID CRYSTAL DISPLAYS MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-05-12 EP disclosed
US-4883611-A ANTHRAQUINONE COMPOUND CONTAINING DECAHYDRONAPHTHYL GROUP MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1989-11-28 US disclosed
EP-0307866-A2 Dichroic coloring agents for liquid crystal displays MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-03-22 EP disclosed
US-4555355-A Composition for liquid crystal color display MITSUI TOATSU CHEMICALS, INC. (JP) 1985-11-26 US disclosed
US-4552684-A ANTHRAOXAZOLE OR ANTHRATHIAZOLE DYES MITSUI TOATSU CHEMICALS, INC. (JP) 1985-11-12 US disclosed
US-4536320-A Nematic liquid crystalline composition MITSUI TOATSU CHEMICALS, INC. (JP) 1985-08-20 US disclosed
EP-0060895-B1 COMPOSITION FOR LIQUID CRYSTAL COLOR DISPLAY MITSUI TOATSU CHEMICALS, Inc. (JP) 1985-05-02 EP disclosed
US-4473486-A Composition for liquid crystal color display elements MITSUI TOATSU CHEMICALS, INC. (JP) 1984-09-25 US disclosed
US-4459218-A Composition for liquid crystal color display MITSUI TOATSU CHEMICALS, INC. (JP) 1984-07-10 US disclosed
JP-S591586-A LIQUID CRYSTAL COMPOSITION SEIKO INSTR & ELECTRONICS LTD 1984-01-06 JP disclosed
US-4360447-A ANTHRAQUINONE DYE MITSUI TOATSU CHEMICALS, INC. (JP) 1982-11-23 US disclosed
EP-0060895-A1 COMPOSITION FOR LIQUID CRYSTAL COLOR DISPLAY MITSUI TOATSU CHEMICALS, Inc. (JP) 1982-09-29 EP disclosed
US-4304683-A Composition for liquid crystal color display element MITSUI TOATSU CHEMICALS, INC. (JP) 1981-12-08 US disclosed