SCHEMBL7121823

SCHEMBL7121823

NC1CCN(CC(=O)O)C1CC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A12 P48065 3/20 0.41
SLC6A11 P48066 3/20 0.41
SLC6A13 Q9NSD5 3/20 0.41
SLC6A9 P48067 1/20 0.32
ACE P12821 1/20 0.31

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
SCHEMBL11098773 0.77 SLC6A12 (0.34) SLC6A12SLC6A11SLC6A13SLC6A9ACE
SCHEMBL5801232 0.65 LTA4H (0.40) ACE
SCHEMBL3413578 0.64 ACE (0.34) SLC6A9ACE
SCHEMBL28554134 0.64 CHRNA7 (0.39) SLC6A12SLC6A11SLC6A13
SCHEMBL28554136 0.64 CHRNA7 (0.39) SLC6A12SLC6A11SLC6A13
SCHEMBL28563561 0.64 CHRNA7 (0.39) SLC6A12SLC6A11SLC6A13
SCHEMBL23802760 0.63 SLC6A12 (0.34) SLC6A12SLC6A11SLC6A13SLC6A9
SCHEMBL30589718 0.63 HSD17B10 (0.37) SLC6A12SLC6A11SLC6A13ACE
SCHEMBL26730453 0.63 GBA1 (0.39) SLC6A12SLC6A11SLC6A13
SCHEMBL3063990 0.63 SLC6A9 (0.34) SLC6A12SLC6A11SLC6A13SLC6A9

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-0945496-B1 Ink compositions and multicolor thermal ink jet printing process for the production of high quality images XEROX CORP (US) 2003-11-12 EP claimed