SCHEMBL27769397

SCHEMBL27769397

CCOC(=O)CC1CCC(c2ccc(-c3cc(OCc4ccccn4)n[nH]3)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 7/20 0.44
SOAT1 P35610 3/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
FAAH O00519 1/20 0.36
CHRM2 P08172 1/20 0.36
DGAT2 Q96PD7 1/20 0.36
PDE10A Q9Y233 1/20 0.36
GABRA1 P14867 3/20 0.35
GABRG2 P18507 3/20 0.35
GABRB3 P28472 3/20 0.35
GABRA5 P31644 3/20 0.35
GABRA3 P34903 3/20 0.35
GABRA2 P47869 3/20 0.35
SYK P43405 2/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CCNE1 P24864 1/20 0.34

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
SCHEMBL4472648 0.88 DGAT1 (0.43) DGAT1SOAT1FAAHCHRM2DGAT2
SCHEMBL14813144 0.88 DGAT1 (0.43) DGAT1SOAT1FAAHCHRM2DGAT2
SCHEMBL27769398 0.84 CCNE1 (0.39) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL27769433 0.84 SYK (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL27790808 0.79 DGAT1 (0.43) DGAT1SOAT1JAK2JAK1TYK2
SCHEMBL14813112 0.78 DGAT1 (0.50) DGAT1SOAT1JAK2JAK1TYK2
SCHEMBL4472216 0.78 DGAT1 (0.50) DGAT1SOAT1JAK2JAK1TYK2
SCHEMBL4487832 0.77 DGAT1 (0.45) DGAT1SOAT1FAAHCHRM2DGAT2
SCHEMBL4943216 0.76 DGAT1 (0.44) DGAT1SOAT1FAAHCHRM2DGAT2
SCHEMBL4482968 0.73 DGAT1 (0.44) DGAT1SOAT1

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-101636155-A Inhibitors of diacylglycerol O-acyltransferase type 1 enzyme ABBOTT LAB 2010-01-27 CN claimed
CN-101636155-A Inhibitors of diacylglycerol O-acyltransferase type 1 enzyme ABBOTT LAB 2010-01-27 CN disclosed