SCHEMBL27313673

SCHEMBL27313673

CCOC(=S)C1CCCCCN1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.38
SLC6A3 Q01959 3/20 0.38
SLC6A4 P31645 2/20 0.38
NOS2 P35228 2/20 0.33
PRCP P42785 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
ALDH1A1 P00352 3/20 0.33
THRB P10828 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HTT P42858 1/20 0.31
DPP4 P27487 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 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 0.93 NOS2 (0.39) SLC6A2SLC6A3SLC6A4NOS2PRCP
Hydrochloric Acid SCHEMBL28244170 0.91 NOS2 (0.38) SLC6A2SLC6A3SLC6A4NOS2PRCP
SCHEMBL5429881 0.79 ALDH1A1 (0.44) SLC6A2SLC6A3SLC6A4PRCPALDH1A1
SCHEMBL9438838 0.79 ALDH1A1 (0.44) SLC6A2SLC6A3SLC6A4PRCPALDH1A1
SCHEMBL9439436 0.79 ALDH1A1 (0.44) SLC6A2SLC6A3SLC6A4PRCPALDH1A1
SCHEMBL9438970 0.79 ALDH1A1 (0.44) SLC6A2SLC6A3SLC6A4PRCPALDH1A1
Hydrochloric Acid SCHEMBL8976071 0.77 NOS2 (0.36) NOS2NOS3NOS1DPP4
SCHEMBL24416125 0.77 NOS2 (0.38) SLC6A2SLC6A3SLC6A4NOS2PRCP
SCHEMBL135813 0.76 SLC6A2 (0.44) SLC6A2SLC6A3SLC6A4PRCPALDH1A1
SCHEMBL1929065 0.76 SLC6A2 (0.44) SLC6A2SLC6A3SLC6A4PRCPALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1030679-C Herbicide increasing of service life in soil STAUFFER CHEMICAL CO (US) 1996-01-17 CN claimed
CN-85107560-A Herbicidal combination for extending the useful life in soil 1987-02-18 CN claimed
CN-1043888-C Fungicidal and herbicidal triazoles ROHM & HAAS (US) 1999-06-30 CN disclosed
CN-1129893-A Herbicidal compositions RHONE POULENC AGROCHIMIE (FR) 1996-08-28 CN disclosed
CN-1030679-C Herbicide increasing of service life in soil STAUFFER CHEMICAL CO (US) 1996-01-17 CN disclosed
CN-1080472-A Antifungal and herbicidal triazoles ROHM & HAAS (US) 1994-01-12 CN disclosed
CN-85107560-A Herbicidal combination for extending the useful life in soil 1987-02-18 CN disclosed