SCHEMBL28114484

SCHEMBL28114484

CCC(=O)OC(C[N+](C)(C)C)C(C)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
CYP2C19 P33261 1/20 0.51
RECQL P46063 1/20 0.51
TSHR P16473 4/20 0.44
CHRM2 P08172 2/20 0.44
CHRM4 P08173 2/20 0.44
CHRM1 P11229 2/20 0.44
TBXA2R P21731 1/20 0.44
MAPT P10636 5/20 0.42
BLM P54132 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GALR3 O60755 1/20 0.42
LMNA P02545 6/20 0.38
CYP2C9 P11712 2/20 0.38
CHRM5 P08912 1/20 0.38
CHRM3 P20309 1/20 0.38
CYP1A2 P05177 4/20 0.38
HRH1 P35367 1/20 0.38
MAPK1 P28482 4/20 0.35

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
SCHEMBL4783813 0.81 CHRM1 (0.59) MEN1KMT2ACYP2C19RECQLTSHR
Iodide SCHEMBL27443982 0.79 CHRM1 (0.57) MEN1KMT2ACYP2C19RECQLTSHR
Hydrochloric Acid SCHEMBL10633363 0.79 MAPT (0.61) MEN1KMT2ACYP2C19RECQLTSHR
Hydrochloric Acid SCHEMBL28364686 0.79 MAPT (0.61) MEN1KMT2ACYP2C19RECQLTSHR
SCHEMBL27607678 0.75 CHRM2 (0.42) MEN1KMT2ACYP2C19RECQLTSHR
SCHEMBL29613042 0.74 CHRM1 (0.47) MEN1KMT2ACYP2C19RECQLTSHR
Phosphoric Acid SCHEMBL29285420 0.74 CHRM1 (0.52) MEN1KMT2ACYP2C19RECQLTSHR
SCHEMBL4252480 0.74 CHRM1 (0.45) MEN1KMT2ACYP2C19RECQLTSHR
SCHEMBL19846180 0.73 ALOX15 (0.37) MEN1KMT2ACYP2C19RECQLTSHR
SCHEMBL6512446 0.72 CHRM1 (0.43) MEN1KMT2ACYP2C19RECQLTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106132407-A Fermented food extracts compositions 国立大学法人信州大学 2016-11-16 CN claimed
CN-106132407-A Fermented food extracts compositions 国立大学法人信州大学 2016-11-16 CN disclosed