SCHEMBL7306276

SCHEMBL7306276

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 2/20 0.39
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
PRCP P42785 2/20 0.38
DPP4 P27487 4/20 0.36
DPP7 Q9UHL4 1/20 0.34
SLC6A2 P23975 3/20 0.33
SLC6A3 Q01959 3/20 0.33
SLC6A4 P31645 2/20 0.33
SCN4A P35499 1/20 0.33
TLR2 O60603 2/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
DPP8 Q6V1X1 1/20 0.32

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
Hydrochloric Acid SCHEMBL28244170 0.98 NOS2 (0.38) NOS2NOS3NOS1PRCPDPP4
SCHEMBL27313673 0.93 SLC6A2 (0.38) NOS2NOS3NOS1PRCPDPP4
SCHEMBL7871507 0.82 NOS2 (0.41) NOS2NOS3NOS1PRCPDPP4
SCHEMBL28661600 0.80 PRCP (0.49) PRCPDPP7TLR2CA12CA1
SCHEMBL27347264 0.78
SCHEMBL18569170 0.77 NOS2 (0.39) NOS2NOS3NOS1PRCPDPP4
SCHEMBL3330660 0.77 PRCP (0.45) NOS2NOS3NOS1PRCPDPP4
SCHEMBL133135 0.77 PRCP (0.45) NOS2NOS3NOS1PRCPDPP4
SCHEMBL115996 0.77 PRCP (0.45) NOS2NOS3NOS1PRCPDPP4
SCHEMBL10829027 0.77 PRCP (0.45) NOS2NOS3NOS1PRCPDPP4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108530516-A The synthesis purifying technique of high chiral purity Pidotimod 北京朗依制药有限公司沧州分公司 2018-09-14 CN claimed
CN-108530516-A The synthesis purifying technique of high chiral purity Pidotimod 北京朗依制药有限公司沧州分公司 2018-09-14 CN disclosed
EP-0372484-A2 Condensed benzene derivative ZERIA PHARMACEUTICAL CO., LTD. (JP) 1990-06-13 EP disclosed