SCHEMBL9004274

SCHEMBL9004274

COCC(C)OCC(C)OC(N)=O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
CHRM2 P08172 1/20 0.47
CHRM4 P08173 1/20 0.47
CHRM5 P08912 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
MAPT P10636 1/20 0.46
TDP1 Q9NUW8 1/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 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
SCHEMBL22356160 0.92
SCHEMBL28762357 0.92
SCHEMBL5574519 0.92
SCHEMBL3538870 0.83 TDP1 (0.35) TDP1
SCHEMBL3538871 0.82 TDP1 (0.34) TSHRTDP1
SCHEMBL145638 0.82 TSHR (0.45) CHRM2CHRM4CHRM1TSHRMAPT
SCHEMBL10277717 0.82 TSHR (0.45) CHRM2CHRM4CHRM1TSHRMAPT
SCHEMBL487682 0.82 TSHR (0.45) CHRM2CHRM4CHRM1TSHRMAPT
SCHEMBL19427365 0.80 FAAH (0.33) TSHRTDP1
SCHEMBL6440368 0.78 TDP1 (0.36) TDP1ALDH1A1

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
CN-1138327-A Etherified alkyl or arylcarbamoylmethylated aminotriazines and curable compositions containing same PPG INDUSTRIES INC (US) 1996-12-18 CN disclosed
EP-0730585-A1 ETHERIFIED ALKYL OR ARYLCARBAMYLMETHYLATED AMINOTRIAZINES AND CURABLE COMPOSITIONS CONTAINING THE SAME PPG INDUSTRIES, INC. (US) 1996-09-11 EP disclosed
US-5545696-A FILM FORMERS IN COATINGS PPG INDUSTRIES, INC. (US) 1996-08-13 US disclosed
US-5536835-A Etherified alkyl or arylcarbamylmethylated aminotriazines and curable compositions containing the same PPG INDUSTRIES, INC. (US) 1996-07-16 US disclosed
WO-1995014677-A1 ETHERIFIED ALKYL OR ARYLCARBAMYLMETHYLATED AMINOTRIAZINES AND CURABLE COMPOSITIONS CONTAINING THE SAME PPG INDUSTRIES, INC. (US) 1995-06-01 WO disclosed