SCHEMBL8763205

SCHEMBL8763205

CC(C)(c1ccccc1COC#N)c1ccccc1COC#N

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.38
SGMS2 Q8NHU3 1/20 0.33
MAOB P27338 2/20 0.32
MAOA P21397 1/20 0.32
CYP1A1 P04798 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP1B1 Q16678 1/20 0.31

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
SCHEMBL8763411 0.80 CYP1A1 (0.41) IDO1MAOBCYP1A1CYP1A2CYP1B1
SCHEMBL20897169 0.76 IDO1 (0.42) IDO1MAOBMAOA
SCHEMBL8764034 0.75 TAAR1 (0.42) MAOB
SCHEMBL8763130 0.75 ALDH1A1 (0.43) MAOBCYP1A1CYP1A2CYP1B1
SCHEMBL8763247 0.74 CYP1A1 (0.37) IDO1MAOBCYP1A1CYP1A2CYP1B1
SCHEMBL8764074 0.72 CYP1A1 (0.32) CYP1A1CYP1A2CYP1B1
SCHEMBL6817876 0.70 IDO1 (0.38) IDO1MAOBMAOACYP1A2
SCHEMBL16105766 0.69 GABRA1 (0.48)
SCHEMBL6795100 0.68 CYP1A2 (0.47) CYP1A2
SCHEMBL28238735 0.68 DPP4 (0.48)

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