SCHEMBL8764224

SCHEMBL8764224

CC(SC#N)C(c1ccccc1)C(C)SC#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.39
TSHR P16473 1/20 0.39
MIF P14174 2/20 0.35
TAAR1 Q96RJ0 3/20 0.34
AOC3 Q16853 1/20 0.34
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 3/20 0.34
MAPT P10636 2/20 0.34
HSD17B10 Q99714 2/20 0.34
ADRA2A P08913 1/20 0.33
ADRA2C P18825 1/20 0.33
CYP2D6 P10635 1/20 0.33
LMNA P02545 1/20 0.33
HIF1A Q16665 1/20 0.33
HPGD P15428 2/20 0.33
ALOX5 P09917 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
ALOX15 P16050 1/20 0.32
HTT P42858 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
SCHEMBL8763336 0.82 ALDH1A1 (0.37) ALDH1A1LMNAALOX5
SCHEMBL31261419 0.80 KDM4E (0.48) TSHRAOC3ALDH1A1KDM4EMAPT
SCHEMBL2936982 0.78 TRPA1 (0.41) TRPA1TSHRMIFTAAR1ALDH1A1
SCHEMBL8763270 0.71 TRPA1 (0.48) TRPA1TSHRMIFTAAR1AOC3
SCHEMBL19646056 0.70 TSHR (0.52) TRPA1TSHRAOC3ALDH1A1KDM4E
SCHEMBL880926 0.69 LMNA (0.42) TRPA1TSHRMIFTAAR1AOC3
SCHEMBL29054028 0.68 TRPA1 (0.45) TRPA1TSHRMIFTAAR1AOC3
SCHEMBL8763614 0.67 TRPA1 (0.39) TRPA1TSHRMIFTAAR1AOC3
SCHEMBL30307009 0.67 TRPA1 (0.43) TRPA1TSHRMIFTAAR1AOC3
SCHEMBL825973 0.66 AOC3 (0.50) TSHRTAAR1AOC3ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0349195-B1 Direct synthesis by cationic polymerization of nitrogen-containing polymers EXXON CHEMICAL PATENTS INC (US) 1997-05-21 EP disclosed
US-5629394-A ENDCAPPING ADDITION POLYMERS WITH NITROGEN FUNCTIONAL GROUPS WHICH CAN BE FURTHER DERIVATIZED EXXON CHEMICAL PATENTS INC (US) 1997-05-13 US disclosed
US-5444135-A Polymerization and functionalization with nitrogen-containing functional groups occur simultaneously EXXON CHEMICAL PATENTS INC. (US) 1995-08-22 US disclosed
US-5336745-A Terminally-substituted polymeric compositions from cationically polymerizable monomers and initiators EXXON CHEMICAL PATENTS INC. (US) 1994-08-09 US disclosed
US-5032653-A Catalysts EXXON CHEMICAL PATENTS, INC. (US) 1991-07-16 US disclosed
EP-0349195-A2 Direct synthesis by cationic polymerization of nitrogen-containing polymers EXXON CHEMICAL PATENTS INC. (US) 1990-01-03 EP disclosed