SCHEMBL7783983

SCHEMBL7783983

CC(C)N(C(=O)Cl)C1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.41
ADH1C P00326 1/20 0.41
ADH1A P07327 1/20 0.41
TSHR P16473 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.37
MAPT P10636 3/20 0.35
KDM4E B2RXH2 1/20 0.33
APAF1 O14727 1/20 0.33
NPC1 O15118 1/20 0.33
TDP2 O95551 1/20 0.33
S1PR4 O95977 1/20 0.33
HSP90AA1 P07900 1/20 0.33
PKM P14618 1/20 0.33
XBP1 P17861 1/20 0.33
S1PR1 P21453 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33

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
SCHEMBL7786929 0.98 ADH1C (0.44) ADH1BADH1CADH1ATSHRTRPM8
SCHEMBL7980290 0.82 PIK3CD (0.46) TSHR
SCHEMBL9462834 0.80 ADH1B (0.42) ADH1BADH1CADH1ATSHRTRPM8
SCHEMBL11532323 0.78 ADH1C (0.45) ADH1BADH1CADH1ATSHRTRPM8
SCHEMBL11744485 0.78 ADH1B (0.41) ADH1BADH1CADH1ATSHRTRPM8
SCHEMBL25778088 0.77 ADH1B (0.39) ADH1BADH1CADH1ATRPM8MAPT
SCHEMBL27490903 0.77 ADH1A (0.48) ADH1BADH1CADH1ATSHRTRPM8
SCHEMBL10453106 0.75 ADH1B (0.42) ADH1BADH1CADH1ATSHRTRPM8
SCHEMBL11535495 0.75 ADH1C (0.42) ADH1BADH1CADH1ATSHRTRPM8
SCHEMBL12050596 0.74 ADH1B (0.41) ADH1BADH1CADH1ATSHRTRPM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1144392-A1 NOVEL TETRAZOLINONE DERIVATIVES NIHON BAYER AGROCHEM K.K. (JP) 2001-10-17 EP disclosed
WO-2000040568-A1 NOVEL TETRAZOLINONE DERIVATIVES NIHON BAYER AGROCHEM K.K. (DE) 2000-07-13 WO disclosed
US-5767286-A REACTING A TETRAZOLINONE WITH A CARBAMOYL CHLORIDE IN THE PRESENCE OF 4-DIMETHYLAMINOPYRIDINE NIHON BAYER AGROCHEM K. K. (JP) 1998-06-16 US disclosed
EP-0646577-B1 Process for the preparation of 1,4-disubstituted-5(4H)-tetrazolinones BAYER AGROCHEM KK (JP) 1998-06-03 EP disclosed
EP-0646577-A1 Process for the preparation of 1,4-disubstituted-5(4H)-tetrazolinones NIHON BAYER AGROCHEM K.K. (JP) 1995-04-05 EP disclosed