SCHEMBL20123340

SCHEMBL20123340

CCOCC(COCC)OC(N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.42
LMNA P02545 4/20 0.38
TSHR P16473 2/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
CYP2C9 P11712 1/20 0.38
MAPT P10636 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 1/20 0.32
PARP10 Q53GL7 1/20 0.31
MAPK1 P28482 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
PRKCA P17252 1/20 0.30
PRKCE Q02156 1/20 0.30
PRKCQ Q04759 1/20 0.30
PRKCD Q05655 1/20 0.30

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
SCHEMBL16244181 0.80 TSHR (0.50) ALOX15LMNATSHRCHRM2CHRM4
SCHEMBL28762370 0.80 TSHR (0.50) ALOX15LMNATSHRCHRM2CHRM4
SCHEMBL16587942 0.79 PRKCA (0.43) LMNATSHRALDH1A1HSD17B10PRKCA
SCHEMBL12471432 0.76 LMNA (0.40) ALOX15LMNATSHRCHRM2CHRM4
SCHEMBL14518779 0.76 ALDH1A1 (0.39) LMNATSHRMAPTALDH1A1HSD17B10
SCHEMBL224781 0.75
SCHEMBL14068774 0.75 LMNA (0.41) LMNATSHRCHRM2CHRM4CHRM5
SCHEMBL17183127 0.74 ALDH1A1 (0.34) LMNATSHRALDH1A1
SCHEMBL21259201 0.74 LMNA (0.55) LMNAMAPTALDH1A1MAPK1PRKCA
SCHEMBL13816292 0.73 CYP1A2 (0.42) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2620436-B1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG SHIONOGI & CO (JP) 2018-05-09 EP disclosed