SCHEMBL9783233

SCHEMBL9783233

CCCCCC(CC)OCCNC(C)=O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ZDHHC7 Q9NXF8 2/20 0.48
TLR2 O60603 6/20 0.41
PAOX Q6QHF9 1/20 0.40
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
HIF1A Q16665 1/20 0.38
PLA2G2C Q5R387 1/20 0.38
SIRT6 Q8N6T7 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
ALDH1A1 P00352 1/20 0.37
CNR1 P21554 1/20 0.37
DAGLA Q9Y4D2 1/20 0.37
EPHX1 P07099 2/20 0.36
ACHE P22303 1/20 0.36
DPP7 Q9UHL4 1/20 0.36

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
SCHEMBL16020554 0.78 MAPK1 (0.50) PAOXKDM4EMAPK1HIF1AALDH1A1
SCHEMBL18227026 0.77 ALDH1A1 (0.52) ZDHHC7ALDH1A1
SCHEMBL23159100 0.75 PAOX (0.47) ZDHHC7TLR2PAOXKDM4EMAPK1
SCHEMBL28429637 0.74 DNM1 (0.48) TLR2ALDH1A1CNR1
SCHEMBL8663554 0.74 DNM1 (0.54) TLR2ALDH1A1CNR1
SCHEMBL20365078 0.74 KDM4E (0.52) ZDHHC7PAOXKDM4EMAPK1HIF1A
SCHEMBL9151394 0.74 ALDH1A1 (0.44) TLR2ALDH1A1CNR1EPHX1
SCHEMBL25175787 0.73 FFAR4 (0.51) TLR2ALDH1A1
SCHEMBL24024 0.73 MEN1 (0.42) ALDH1A1CNR1
SCHEMBL16872540 0.73 GPR84 (0.36) ZDHHC7TLR2ALDH1A1

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
US-4997984-A Process for preparation of N-(α-alkoxyethyl)-carboxylic acid amide SHAWA DENKO K.K. (JP) 1991-03-05 US disclosed