SCHEMBL6565173

SCHEMBL6565173

CCN(C(C)C)C(C)C.O=C(O)N(S)S

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
LMNA P02545 1/20 0.31
PGR P06401 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
HTR2A P28223 1/20 0.31
HRH1 P35367 1/20 0.31
KCNH2 Q12809 1/20 0.31
RNPEP Q9H4A4 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
Bicarbonate SCHEMBL27506741 0.85 FFAR3 (0.35) HDAC1HDAC8HDAC6LMNAPGR
Acetic Acid SCHEMBL1033681 0.82 FFAR3 (0.39) HDAC1PGRADRA2AADRA2BHTR2A
Propionic Acid SCHEMBL27829635 0.80 FFAR3 (0.53) HDAC1HDAC8PGRADRA2AADRA2B
Carbamic Acid SCHEMBL28872525 0.80 ACHE (0.37) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL28142086 0.77 MEN1 (0.38) HDAC1HDAC8HDAC6
Pivalate SCHEMBL1831109 0.76 TSHR (0.33) PGRADRA2AADRA2BHTR2AHRH1
Methyl Alcohol SCHEMBL2652388 0.76 MEN1 (0.38)
SCHEMBL7097725 0.76
SCHEMBL1746 0.76
SCHEMBL5544690 0.76 MEN1 (0.42)

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-1377546-A2 PROCESS FOR PRODUCING THIOSEMICARBAZIDES Dow AgroSciences LLC (US) 2004-01-07 EP claimed
WO-2002081438-A2 PROCESS FOR PRODUCING THIOSEMICARBAZIDES DOW AGROSCIENCES LCC (US) 2002-10-17 WO claimed
WO-1998037074-A1 PROCESS FOR PREPARATION OF 2-MERCAPTOTHIAZOLE ZENECA LIMITED (GB) 1998-08-27 WO claimed
EP-1377546-A2 PROCESS FOR PRODUCING THIOSEMICARBAZIDES Dow AgroSciences LLC (US) 2004-01-07 EP disclosed
WO-2002081438-A2 PROCESS FOR PRODUCING THIOSEMICARBAZIDES DOW AGROSCIENCES LCC (US) 2002-10-17 WO disclosed
WO-1998037074-A1 PROCESS FOR PREPARATION OF 2-MERCAPTOTHIAZOLE ZENECA LIMITED (GB) 1998-08-27 WO disclosed