SCHEMBL7871507

SCHEMBL7871507

OCOC(=S)[C@@H]1CCCN1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 2/20 0.41
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
DPP4 P27487 5/20 0.37
PRCP P42785 1/20 0.33
DPP8 Q6V1X1 2/20 0.31
DPP9 Q86TI2 2/20 0.31
FAP Q12884 1/20 0.30
DPP7 Q9UHL4 1/20 0.30

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
SCHEMBL7306276 0.82 NOS2 (0.39) NOS2NOS3NOS1DPP4PRCP
Hydrochloric Acid SCHEMBL28244170 0.81 NOS2 (0.38) NOS2NOS3NOS1DPP4PRCP
SCHEMBL7331648 0.78 NOS2 (0.36) NOS2NOS3NOS1DPP4
SCHEMBL10686210 0.78 NOS2 (0.36) NOS2NOS3NOS1DPP4
SCHEMBL1358236 0.77 NOS2 (0.43) NOS2NOS3NOS1DPP4PRCP
SCHEMBL26117510 0.76 NOS2 (0.41) NOS2NOS3NOS1DPP4PRCP
SCHEMBL27313673 0.76 SLC6A2 (0.38) NOS2NOS3NOS1DPP4PRCP
SCHEMBL27347264 0.75
Hydrochloric Acid SCHEMBL28206791 0.74 NOS2 (0.39) NOS2NOS3NOS1DPP4PRCP
Hydrochloric Acid SCHEMBL8976071 0.74 NOS2 (0.36) NOS2NOS3NOS1DPP4

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-6310180-B1 PEPTIDE BIOSYNTHESIS REQUIRING NEITHER PROTECTION NOR ACTIVE C-ALPHA CARBOXYL GROUPS BY COUPLING PEPTIDES BY REACTING A 1-AMINO-2-MERCAPTO ALKYL ATTACHED TO ONE PEPTIDE WITH THE CARBOXY GROUP OF THE OTHER; REARRANGEMENT; STABILITY VANDERBILT UNIVERSITY 2001-10-30 US disclosed