SCHEMBL8438612

SCHEMBL8438612

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

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
TAS1R3 Q7RTX0 3/20 0.36
TAS1R1 Q7RTX1 3/20 0.36
TAS1R2 Q8TE23 2/20 0.36
GAA P10253 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL1416549 0.78
SCHEMBL8643961 0.77 TSHR (0.65) TSHRTAS1R3TAS1R1TAS1R2GAA
SCHEMBL8433762 0.77 ALDH1A1 (0.37) TSHRGAAALDH1A1
SCHEMBL4891789 0.76
SCHEMBL8433155 0.75 CYP3A4 (0.41) TSHRTAS1R3TAS1R1TAS1R2GAA
SCHEMBL2866131 0.74
SCHEMBL10941133 0.73 GAA (0.68) TSHRGAAALDH1A1SMN1; SMN2
SCHEMBL10941125 0.73 GAA (0.68) TSHRGAAALDH1A1SMN1; SMN2
SCHEMBL5211254 0.72 TAS1R3 (0.36) TSHRTAS1R3TAS1R1GAAALDH1A1
SCHEMBL2820334 0.71 TAS1R3 (0.46) TSHRTAS1R3TAS1R1TAS1R2GAA

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 3 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
WO-1996005179-A1 SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS BASF AKTIENGESELLSCHAFT (DE) 1996-02-22 WO disclosed