SCHEMBL27769375

SCHEMBL27769375

CC(=O)OC1CCC(c2ccc(-c3cc(C(F)(F)F)[nH]n3)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.40
MAPK1 P28482 2/20 0.38
CRHBP P24387 1/20 0.38
ATM Q13315 1/20 0.38
CRHR2 Q13324 1/20 0.38
HPGD P15428 1/20 0.37
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PRCP P42785 3/20 0.36
DGAT1 O75907 3/20 0.36
SOAT1 P35610 1/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTT P42858 1/20 0.35
MAPK14 Q16539 1/20 0.35
SMO Q99835 1/20 0.35
CA12 O43570 1/20 0.34
ALPL P05186 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
SCHEMBL27769424 0.86 XDH (0.37) XDHMAPK1CRHBPATMCRHR2
SCHEMBL27769423 0.80 DGAT1 (0.51) XDHDGAT1SOAT1MAPTL3MBTL1
SCHEMBL4487423 0.79 DGAT1 (0.54) DGAT1SOAT1
SCHEMBL14813133 0.79 DGAT1 (0.54) DGAT1SOAT1
SCHEMBL27790748 0.78 DGAT1 (0.44) XDHDGAT1SOAT1NOTUM
SCHEMBL4463767 0.78 DGAT1 (0.47) XDHDGAT1SOAT1
SCHEMBL4569575 0.77 NOTUM (0.36) DGAT1NOTUM
SCHEMBL4481074 0.76 DGAT1 (0.44) XDHDGAT1SOAT1
SCHEMBL4941289 0.74 DGAT1 (0.58) XDHPRCPDGAT1SOAT1
SCHEMBL2551085 0.72 DGAT1 (0.69) DGAT1

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