SCHEMBL12070944

SCHEMBL12070944

C=CCCCCCC(O)C(=O)N1CCC[C@H]1C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACE P12821 6/20 0.36
REN P00797 3/20 0.36
TRHR P34981 1/20 0.35
PEPD P12955 2/20 0.34
KDM4E B2RXH2 1/20 0.34
F2 P00734 1/20 0.34
LMNA P02545 1/20 0.34
LTA4H P09960 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
PTGS1 P23219 1/20 0.34
HTR2A P28223 1/20 0.34
PTGS2 P35354 1/20 0.34
HRH1 P35367 1/20 0.34
THPO P40225 1/20 0.34
PMP22 Q01453 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ACE2 Q9BYF1 1/20 0.34
DPP4 P27487 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
SCHEMBL12784272 0.88 DPP7 (0.46) ACERENDPP4
SCHEMBL11939488 0.84 TRHR (0.35) ACERENTRHRDPP4
SCHEMBL7932659 0.79 HTR1A (0.50) DPP4
SCHEMBL12771027 0.78 HDAC4 (0.41) ACETRHRF2DPP4
SCHEMBL13766136 0.77 ITGB3 (0.47) ACEF2
SCHEMBL20953071 0.73 DPP4 (0.47) ACEDPP4
SCHEMBL6381431 0.70 DPP4 (0.43) DPP4
SCHEMBL29406923 0.69 DPP7 (0.65) ACEDPP4
Hydrochloric Acid SCHEMBL11330390 0.69 DPP4 (0.57) DPP4
SCHEMBL425457 0.68 DPP4 (0.40) ACEDPP4

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
WO-2011150190-A2 HCV INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ANACOR PHARMACEUTICALS, INC. (US) 2011-12-01 WO disclosed