S-Ethyl Dipropylcarbamothioate

S-Ethyl Dipropylcarbamothioate

SCHEMBL8074575

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

nearest known ligand 0.80

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.80
MAPK1 P28482 1/20 0.80
CA12 O43570 3/20 0.39
CA2 P00918 3/20 0.39
CA9 Q16790 3/20 0.39
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
CYP2C19 P33261 1/20 0.33
NOS2 P35228 1/20 0.33
CA1 P00915 2/20 0.32
BLM P54132 1/20 0.32
TDP1 Q9NUW8 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
S-Ethyl Dipropylcarbamothioate SCHEMBL8541416 0.89 TSHR (1.00) TSHRMAPK1CA12CA2CA9
S-Ethyl Dipropylcarbamothioate SCHEMBL66482 0.89 TSHR (1.00) TSHRMAPK1CA12CA2CA9
Butylate SCHEMBL10835867 0.88 TSHR (0.62) TSHRMAPK1CA12CA2CA9
S-Ethyl Dipropylcarbamothioate SCHEMBL10793164 0.88 TSHR (0.80) TSHRMAPK1CA12CA2CA9
S-Ethyl Dipropylcarbamothioate SCHEMBL11347969 0.87 TSHR (0.95) TSHRMAPK1CA12CA2CA9
S-Ethyl Dipropylcarbamothioate SCHEMBL11327263 0.86 TSHR (0.77) TSHRMAPK1CA12CA2CA9
SCHEMBL11814114 0.82 TSHR (0.83) TSHRMAPK1CA12CA2CA9
Butylate SCHEMBL8466988 0.77 TSHR (0.74) TSHRMAPK1CA12CA2CA9
SCHEMBL9799561 0.77 TSHR (0.75) TSHRMAPK1CA12CA2CA9
S-Ethyl Dipropylcarbamothioate SCHEMBL9725650 0.77 TSHR (0.61) TSHRMAPK1CA12CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0623052-B1 PROCESS FOR FORMALDEHYDE CONTENT REDUCTION IN MICROCAPSULE FORMULATIONS ZENECA LTD (GB) 1996-09-18 EP claimed
EP-1018886-A1 CONTROL OF CYPERUS SPP. WITH A FUNGAL PATHOGEN UNIVERSITY OF FLORIDA (US) 2000-07-19 EP disclosed
US-5973229-A ISOLATED, PURIFIED PROTEIN ENCODING CDNA; TO ALTER PLANT'S SENSITIVITY TO CERTAIN HERBICIDES BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY (US) 1999-10-26 US disclosed
WO-1998008389-A1 CONTROL OF CYPERUS SPP. WITH A FUNGAL PATHOGEN UNIVERSITY OF FLORIDA (US) 1998-03-05 WO disclosed
US-4559083-A CONTROLLING MONO-AND DICOTYLEDONOUS WEEDS USING A MIXTURE ALSO INCLUDING A DILUENT AND SURFACTANT ESZAKMAGYARORSZAGI VEGYIMUVEK (HU) 1985-12-17 US disclosed
US-4340419-A S-triazine herbicidal antidotes STAUFFER CHEMICAL COMPANY (US) 1982-07-20 US disclosed