SCHEMBL8763270

SCHEMBL8763270

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.48
TSHR P16473 1/20 0.48
MIF P14174 2/20 0.39
TAAR1 Q96RJ0 3/20 0.38
AOC3 Q16853 1/20 0.38
THRB P10828 1/20 0.37
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 1/20 0.37
HSD17B10 Q99714 1/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C1 Q04828 1/20 0.37
PBRM1 Q86U86 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2C P18825 1/20 0.37
CYP2D6 P10635 1/20 0.37
LMNA P02545 1/20 0.37
HIF1A Q16665 1/20 0.37
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL19588488 0.81 TRPA1 (0.48) TRPA1TSHRMIFTAAR1THRB
SCHEMBL27168775 0.81 TRPA1 (0.48) TRPA1TSHRMIFTAAR1THRB
SCHEMBL8764061 0.79 ALDH1A1 (0.42) ALDH1A1KDM4EMAPTLMNANPC1
SCHEMBL9490612 0.77 DPP4 (0.54) TRPA1TSHRTAAR1ALDH1A1KDM4E
SCHEMBL4981519 0.77 TSHR (0.56) TRPA1TSHRAOC3ALDH1A1KDM4E
SCHEMBL13950138 0.77 TSHR (0.56) TRPA1TSHRAOC3ALDH1A1KDM4E
SCHEMBL13950141 0.77 TSHR (0.56) TRPA1TSHRAOC3ALDH1A1KDM4E
SCHEMBL29054028 0.77 TRPA1 (0.45) TRPA1TSHRMIFTAAR1AOC3
SCHEMBL1548275 0.77 TRPA1 (0.45) TRPA1TSHRMIFTAAR1THRB
SCHEMBL30307009 0.76 TRPA1 (0.43) TRPA1TSHRMIFTAAR1AOC3

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 5 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