SCHEMBL9004288

SCHEMBL9004288

CCCOCCCOC(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.46
LMNA P02545 3/20 0.43
TSHR P16473 3/20 0.43
CHRM2 P08172 2/20 0.43
CHRM4 P08173 2/20 0.43
CHRM5 P08912 2/20 0.43
CHRM1 P11229 2/20 0.43
CHRM3 P20309 2/20 0.43
CHRNB2 P17787 2/20 0.43
CHRNA4 P43681 2/20 0.43
HTR1A P08908 1/20 0.43
CYP2C19 P33261 1/20 0.43
CHRNA7 P36544 1/20 0.43
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.39
ATM Q13315 1/20 0.39
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
NAAA Q02083 1/20 0.38
MAPT P10636 2/20 0.37

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
SCHEMBL420529 0.91 ALDH1A1 (0.52) ALOX15LMNATSHRCHRM2CHRM4
SCHEMBL18683466 0.88 NAAA (0.53) LMNATSHRALDH1A1NAAAMAPT
SCHEMBL18683561 0.88 NAAA (0.53) LMNATSHRALDH1A1NAAAMAPT
SCHEMBL29139892 0.88 NAAA (0.53) LMNATSHRALDH1A1NAAAMAPT
SCHEMBL30872635 0.86 ALOX15 (0.50) ALOX15LMNATSHRCHRM2CHRM4
SCHEMBL11806007 0.86 ALOX15 (0.50) ALOX15LMNATSHRCHRM2CHRM4
SCHEMBL16244208 0.84 ALOX15 (0.54) ALOX15LMNATSHRCHRM2CHRM4
SCHEMBL8431991 0.83 TSHR (0.48) ALOX15LMNATSHRCHRM2CHRM4
SCHEMBL11554689 0.83 TSHR (0.48) ALOX15LMNATSHRCHRM2CHRM4
SCHEMBL9004278 0.83 TSHR (0.48) ALOX15LMNATSHRCHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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