SCHEMBL7298764

SCHEMBL7298764

C/C(=C\C=C(/C)C(=O)N1CCC[C@H]1OC(=O)O)C(=O)N1CCC[C@@H]1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.41
ACE P12821 9/20 0.40
REN P00797 3/20 0.39
LMNA P02545 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 1/20 0.39
F2 P00734 1/20 0.39
LTA4H P09960 1/20 0.39
MAPT P10636 1/20 0.39
PEPD P12955 1/20 0.39
ALOX15 P16050 1/20 0.39
PTGS1 P23219 1/20 0.39
HTR2A P28223 1/20 0.39
PTGS2 P35354 1/20 0.39
HRH1 P35367 1/20 0.39
THPO P40225 1/20 0.39
PMP22 Q01453 1/20 0.39
ACE2 Q9BYF1 1/20 0.39
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL6789454 0.87 ACE (0.47) RAB9AACERENLMNAHSD17B10
SCHEMBL6789463 0.87 ACE (0.47) RAB9AACERENLMNAHSD17B10
SCHEMBL6789470 0.87 ACE (0.47) RAB9AACERENLMNAHSD17B10
SCHEMBL13825896 0.78 ACE (0.47) RAB9AACERENLMNAHSD17B10
SCHEMBL7296775 0.74 ACE (0.50) RAB9AACEALDH1A1SMN1; SMN2
SCHEMBL6206281 0.74 CHRM2 (0.38) RAB9A
SCHEMBL7257281 0.74 ACE (0.40) RAB9AACERENLMNAHSD17B10
SCHEMBL7299201 0.73 ACE (0.55) RAB9AACERENACE2
SCHEMBL2444893 0.73 ACE (0.55) RAB9AACEREN
SCHEMBL2177826 0.72 ACE (0.51) RAB9AACERENLMNAHSD17B10

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
EP-0915088-B1 D-Proline derivatives HOFFMANN LA ROCHE (CH) 2002-09-18 EP claimed