SCHEMBL8436642

SCHEMBL8436642

C[CH]C(=O)NC(C)CCCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
TAS1R2 Q8TE23 1/20 0.46
ADH1B P00325 1/20 0.41
ADH1C P00326 1/20 0.41
ADH1A P07327 1/20 0.41
ADH4 P08319 1/20 0.41
ADH7 P40394 1/20 0.41
CTSK P43235 5/20 0.39
MLYCD O95822 1/20 0.39
DPP8 Q6V1X1 2/20 0.39
DPP7 Q9UHL4 2/20 0.39
SLC15A1 P46059 1/20 0.38
CA2 P00918 3/20 0.37
CA1 P00915 2/20 0.37
MAPK1 P28482 2/20 0.37
MEN1 O00255 1/20 0.37
FAAH O00519 1/20 0.37
KMT2A Q03164 1/20 0.37
DPP4 P27487 1/20 0.37

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
SCHEMBL8433880 0.88 ALDH1A1 (0.43) TAS1R3TAS1R1TAS1R2MAPK1MEN1
SCHEMBL8196999 0.82 TSHR (0.52) TAS1R3TAS1R1TAS1R2ADH1BADH1C
SCHEMBL6465249 0.80 ADH1B (0.50) TAS1R3TAS1R1TAS1R2ADH1BADH1C
SCHEMBL5209100 0.79
SCHEMBL5206239 0.78 TAS1R3 (0.41) TAS1R3TAS1R1CTSKDPP8DPP7
SCHEMBL11871673 0.78 ADH1B (0.53) TAS1R3TAS1R1TAS1R2ADH1BADH1C
SCHEMBL27193048 0.77 ZDHHC20 (0.50) TAS1R3TAS1R1TAS1R2ADH1BADH1C
SCHEMBL1300172 0.77 TAS1R3 (0.54) TAS1R3TAS1R1TAS1R2ADH1BADH1C
SCHEMBL2760205 0.77 TAS1R3 (0.50) TAS1R3TAS1R1TAS1R2ADH1BADH1C
SCHEMBL1388249 0.77 TAS1R3 (0.50) TAS1R3TAS1R1TAS1R2ADH1BADH1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0777658-B1 SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS BASF AG (DE) 1999-12-15 EP disclosed
US-5885934-A HERBICIDES OR FOR THE DESICCATION/DEFOLIATION OF PLANTS BASF AKTIENGESELLSCHAFT (DE) 1999-03-23 US disclosed
EP-0777658-A1 SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS BASF AKTIENGESELLSCHAFT (DE) 1997-06-11 EP disclosed
WO-1996005179-A1 SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS BASF AKTIENGESELLSCHAFT (DE) 1996-02-22 WO disclosed