SCHEMBL30925322

SCHEMBL30925322

CC(=O)OCCC(C[N+](C)(C)C)OC(C)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.56
LMNA P02545 3/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
CYP1A2 P05177 1/20 0.56
HRH1 P35367 1/20 0.56
CHRM1 P11229 4/20 0.50
CHRM2 P08172 3/20 0.50
CHRM4 P08173 3/20 0.50
TSHR P16473 3/20 0.50
TBXA2R P21731 2/20 0.50
GALR3 O60755 3/20 0.48
MAPT P10636 2/20 0.48
BLM P54132 1/20 0.48
CHRM5 P08912 3/20 0.48
CHRM3 P20309 3/20 0.48
PGR P06401 1/20 0.48
HTR1A P08908 1/20 0.48
CHRNB2 P17787 1/20 0.48
CHRNB4 P30926 1/20 0.48

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
SCHEMBL13825187 0.82 ALOX15 (0.44) SMN1; SMN2LMNAMEN1KMT2ACYP1A2
SCHEMBL4076808 0.81 SMN1; SMN2 (0.59) SMN1; SMN2LMNAMEN1KMT2ACYP1A2
SCHEMBL14611305 0.81 SMN1; SMN2 (0.59) SMN1; SMN2LMNAMEN1KMT2ACYP1A2
Hydrochloric Acid SCHEMBL10720917 0.79 SMN1; SMN2 (0.62) SMN1; SMN2LMNAMEN1KMT2ACYP1A2
SCHEMBL7757645 0.79 PRKCA (0.44) SMN1; SMN2LMNAMEN1KMT2ACYP1A2
SCHEMBL11913587 0.79 ALDH1A1 (0.45) SMN1; SMN2LMNAMEN1KMT2ACYP1A2
SCHEMBL18652575 0.79 TDP1 (0.47) SMN1; SMN2LMNAMEN1KMT2ACYP1A2
SCHEMBL30815987 0.77 CHRM1 (0.41) SMN1; SMN2LMNAMEN1KMT2ACYP1A2
SCHEMBL4925985 0.77 ALOX15 (0.41) SMN1; SMN2LMNAMEN1KMT2ACYP1A2
SCHEMBL4918612 0.77 ALOX15 (0.41) SMN1; SMN2LMNAMEN1KMT2ACYP1A2

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
CN-113423470-B Cosmetic compounding agent, cosmetic, and method for producing same 三吉油脂株式会社 2024-07-09 CN disclosed