SCHEMBL6016860

SCHEMBL6016860

CCCCCCCC(=O)CC(=O)CC(=O)N1CCCC1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 10/20 0.51
ACE2 Q9BYF1 4/20 0.51
HAO1 Q9UJM8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 2/20 0.44
HSD17B10 Q99714 2/20 0.44
REN P00797 2/20 0.44
CYP2C19 P33261 1/20 0.44
KDM4E B2RXH2 1/20 0.44
F2 P00734 1/20 0.44
LTA4H P09960 1/20 0.44
MAPT P10636 1/20 0.44
PEPD P12955 1/20 0.44
ALOX15 P16050 1/20 0.44
PTGS1 P23219 1/20 0.44
HTR2A P28223 1/20 0.44
PTGS2 P35354 1/20 0.44
HRH1 P35367 1/20 0.44
THPO P40225 1/20 0.44
PMP22 Q01453 1/20 0.44

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
SCHEMBL3745290 0.97 ACE (0.53) ACEACE2HAO1L3MBTL1LMNA
SCHEMBL3736446 0.93 ACE (0.49) ACEACE2HAO1L3MBTL1
SCHEMBL16620986 0.86 ACE (0.53) ACEACE2L3MBTL1LMNAHSD17B10
SCHEMBL28382904 0.86 ACE (0.53) ACEACE2L3MBTL1LMNAHSD17B10
SCHEMBL10406629 0.86 ACE (0.57) ACEACE2L3MBTL1REN
SCHEMBL15650373 0.86 ACE (0.57) ACEACE2L3MBTL1REN
SCHEMBL5035980 0.86 ACE (0.57) ACEACE2L3MBTL1REN
SCHEMBL21853572 0.86 ACE (0.57) ACEACE2L3MBTL1REN
SCHEMBL10537390 0.86 ACE (0.57) ACEACE2L3MBTL1REN
SCHEMBL5035740 0.86 ACE (0.57) ACEACE2L3MBTL1REN

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
EP-1622890-A2 BLOCKERS OF THE QUORUM SENSING SYSTEM OF GRAM-NEGATIVE BACTERIA 4SC AG (DE) 2006-02-08 EP disclosed
WO-2004099175-A2 BLOCKERS OF THE QUORUM SENSING SYSTEM OF GRAM-NEGATIVE BACTERIA 4SC AG (DE) 2004-11-18 WO disclosed