SCHEMBL19116992

SCHEMBL19116992

C#CCOC(=O)C(CCC#N)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 4/20 0.40
SLC1A3 P43003 3/20 0.36
SLC1A1 P43005 3/20 0.36
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.31
TSHR P16473 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
SCHEMBL19105367 0.93 NPC1 (0.35) SLC1A2SLC1A3SLC1A1NPC1TSHR
SCHEMBL19116995 0.79 SLC1A2 (0.38) SLC1A2SLC1A3SLC1A1TSHR
SCHEMBL19117241 0.79 SLC1A2 (0.37) SLC1A2SLC1A3SLC1A1TSHR
SCHEMBL10012215 0.79 TSHR (0.36) SLC1A2NPC1TSHR
SCHEMBL7055006 0.78 MEN1 (0.46) SLC1A2POLBTSHR
SCHEMBL19117528 0.78 CHRM1 (0.40) SLC1A2SLC1A3SLC1A1NPC1POLB
SCHEMBL19105359 0.76 MEN1 (0.36) SLC1A2
SCHEMBL29870377 0.76 SLC1A2 (0.41) SLC1A2SLC1A3SLC1A1TSHR
SCHEMBL3103340 0.76 SLC1A2 (0.54) SLC1A2SLC1A3SLC1A1TSHR
SCHEMBL27668326 0.76 SLC1A2 (0.43) SLC1A2SLC1A3SLC1A1TSHR

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-20170200976-A1 NON-AQUEOUS ELECTROLYTIC SOLUTION AND NON-AQUEOUS ELECTROLYTE SECONDARY BATTERY USING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2017-07-13 US disclosed