S-Ethyl Dipropylcarbamothioate

S-Ethyl Dipropylcarbamothioate

SCHEMBL9725650

CCCN(CCC)C(=O)SCC.O=C(S)N1CCCCCC1

nearest known ligand 0.61

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Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.61
MAPK1 P28482 1/20 0.61
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
HRH3 Q9Y5N1 2/20 0.34
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
HTR1A P08908 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
Butylate SCHEMBL9236447 0.82 TSHR (0.38) TSHRMAPK1L3MBTL1MEN1KMT2A
Vernolate SCHEMBL9331760 0.79 TSHR (0.53) TSHRMAPK1L3MBTL1MEN1KMT2A
S-Ethyl Dipropylcarbamothioate SCHEMBL66482 0.78 TSHR (1.00) TSHRMAPK1MEN1KMT2ATDP1
S-Ethyl Dipropylcarbamothioate SCHEMBL8541416 0.78 TSHR (1.00) TSHRMAPK1MEN1KMT2ATDP1
Molinate SCHEMBL9464047 0.77 L3MBTL1 (0.38) L3MBTL1MEN1KMT2ATDP1HTT
S-Ethyl Dipropylcarbamothioate SCHEMBL10793164 0.77 TSHR (0.80) TSHRMAPK1MEN1KMT2ANPSR1
S-Ethyl Dipropylcarbamothioate SCHEMBL8074575 0.77 TSHR (0.80) TSHRMAPK1MEN1KMT2ATDP1
S-Ethyl Dipropylcarbamothioate SCHEMBL11347969 0.76 TSHR (0.95) TSHRMAPK1MEN1KMT2ATDP1
Molinate SCHEMBL11745944 0.73 TSHR (0.43) TSHRMAPK1L3MBTL1MEN1KMT2A
S-Ethyl Dipropylcarbamothioate SCHEMBL15019931 0.72 TSHR (0.43) TSHRMAPK1HRH3NPSR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5171356-A Thiolcarbamate and nonphytotoxic extender which minimizes soil degradation ICI AMERICAS INC. (US) 1992-12-15 US disclosed
US-4762548-A HALOALLYL-SUBSTITUTED AMIDE EXTENDER FOR A THIOLCARBAMATE STAUFFER CHEMICAL CO. (US) 1988-08-09 US disclosed