SCHEMBL9803063

SCHEMBL9803063

CCCCC(CC)CN1CCC[C@H]1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACE P12821 6/20 0.40
REN P00797 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.38
F2 P00734 1/20 0.38
LMNA P02545 1/20 0.38
LTA4H P09960 1/20 0.38
MAPT P10636 1/20 0.38
PEPD P12955 1/20 0.38
ALOX15 P16050 1/20 0.38
PTGS1 P23219 1/20 0.38
HTR2A P28223 1/20 0.38
PTGS2 P35354 1/20 0.38
HRH1 P35367 1/20 0.38
THPO P40225 1/20 0.38
PMP22 Q01453 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ACE2 Q9BYF1 1/20 0.38
CA2 P00918 1/20 0.37

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
SCHEMBL9803068 1.00 ACE (0.40) ACERENL3MBTL1KDM4EF2
SCHEMBL26121297 0.89 ACE (0.40) ACERENL3MBTL1KDM4EF2
SCHEMBL26121293 0.89 ACE (0.40) ACERENL3MBTL1KDM4EF2
SCHEMBL9658671 0.85 LTA4H (0.38) F2LTA4HMAPTPEPDCA2
SCHEMBL14906337 0.79 GPR84 (0.44) ACERENL3MBTL1
SCHEMBL11122285 0.79 GPR84 (0.44) ACERENL3MBTL1
SCHEMBL11119799 0.79 GPR84 (0.44) ACERENL3MBTL1
SCHEMBL11122286 0.79 GPR84 (0.44) ACERENL3MBTL1
SCHEMBL9109521 0.77 ACE (0.45) ACERENL3MBTL1KDM4EF2
SCHEMBL9109528 0.77 ACE (0.45) ACERENL3MBTL1KDM4EF2

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
US-5059628-A Proline or prolinol ester to enhance absorption NITTO ELECTRIC INDUSTRIAL CO., LTD. (JP) 1991-10-22 US disclosed