SCHEMBL8763201

SCHEMBL8763201

CC(C)(OC#N)C(c1ccccc1)C(C)(C)OC#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
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
HRH1 P35367 2/20 0.34
HTR2A P28223 1/20 0.34
RIPK1 Q13546 2/20 0.34
THRB P10828 1/20 0.34
PBRM1 Q86U86 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
PRSS1 P07477 1/20 0.33
CTSG P08311 1/20 0.33
CTRB1 P17538 1/20 0.33

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
SCHEMBL8762254 0.84 CHRNA7 (0.38) TSHRTDP1L3MBTL1NPC1ALDH1A1
SCHEMBL8855642 0.74 TSHR (0.41) TRPA1TSHRHRH1RIPK1ALDH1A1
SCHEMBL23182383 0.71 TRPA1 (0.39) TRPA1TSHRCTSSCTSKHRH1
SCHEMBL4689608 0.70 MAPK1 (0.44) TSHRATMALDH1A1CYP3A4CYP2D6
SCHEMBL16344080 0.70 MAPK1 (0.39) TSHRHRH1RIPK1ATML3MBTL1
SCHEMBL4831574 0.70 MAPK1 (0.56) TSHRATMALDH1A1CYP3A4CYP2D6
SCHEMBL20264882 0.70 MAPK1 (0.44) TSHRATMALDH1A1CYP3A4CYP2D6
SCHEMBL8763311 0.69 TRPA1 (0.38) TRPA1TSHRCTSSCTSKHRH1
SCHEMBL1927915 0.69 RIPK1 (0.43) TSHRHRH1HTR2ARIPK1ATM
SCHEMBL4068912 0.69 MAPK1 (0.42) HRH1RIPK1ALDH1A1SLC6A4SLC6A3

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