SCHEMBL528250

SCHEMBL528250

COC(=O)C(Br)COC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZDHHC7 Q9NXF8 1/20 0.47
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 4/20 0.39
LMNA P02545 2/20 0.39
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.37
CHRM5 P08912 2/20 0.37
CHRM1 P11229 2/20 0.37
CHRM3 P20309 2/20 0.37
PGR P06401 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
HTR1A P08908 1/20 0.37
CHRNB2 P17787 1/20 0.37
TBXA2R P21731 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37
CHRNA10 Q9GZZ6 1/20 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
SCHEMBL15670391 0.81
SCHEMBL2318914 0.81
SCHEMBL17760684 0.79 TSHR (0.57) ZDHHC7TDP1ALDH1A1SMN1; SMN2TSHR
SCHEMBL1415237 0.75 ZDHHC7 (0.65) ZDHHC7ALDH1A1HSD17B10SMN1; SMN2GAA
SCHEMBL5965786 0.75 ZDHHC7 (0.65) ZDHHC7ALDH1A1HSD17B10SMN1; SMN2GAA
SCHEMBL1415280 0.75 ZDHHC7 (0.54) ZDHHC7ALDH1A1HSD17B10SMN1; SMN2GAA
SCHEMBL7777034 0.75
SCHEMBL28231114 0.75 TDP1 (0.46) TDP1ALDH1A1LMNAHSD17B10SMN1; SMN2
SCHEMBL14840840 0.75 TSHR (0.57) ZDHHC7ALDH1A1HSD17B10SMN1; SMN2TSHR
SCHEMBL15290537 0.74 TDP1 (0.42) TDP1ALDH1A1LMNAHSD17B10SMN1; SMN2

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
US-10023689-B2 Functional biodegradable polymers THE UNIVERSITY OF AKRON 2018-07-17 US disclosed
US-20160229952-A1 FUNCTIONAL BIODEGRADABLE POLYMERS NATIONAL SCIENCE FOUNDATION 2016-08-11 US disclosed
US-20130184429-A1 FUNCTIONAL BIODEGRADABLE POLYMERS THE UNIVERSITY OF AKRON (US) 2013-07-18 US disclosed
US-20130184429-A1 FUNCTIONAL BIODEGRADABLE POLYMERS THE UNIVERSITY OF AKRON (US) 2013-07-18 US disclosed
EP-2598552-A1 FUNCTIONAL BIODEGRADABLE POLYMERS University Of Akron (US) 2013-06-05 EP disclosed
WO-2012015481-A1 FUNCTIONAL BIODEGRADABLE POLYMERS UNIVERSITY OF AKRON (US) 2012-02-02 WO disclosed