SCHEMBL8438041

SCHEMBL8438041

C[CH]C(=O)NCC(C)(C)CC

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CNR1 P21554 7/20 0.34
CNR2 P34972 7/20 0.34
TRPA1 O75762 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
TSHR P16473 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
SCHEMBL20216157 0.83 CNR2 (0.42) LMNATP53SMN1; SMN2HSD17B10CNR1
SCHEMBL12314771 0.81 TSHR (0.48) LMNATP53SMN1; SMN2HSD17B10CNR1
SCHEMBL8437330 0.79 CNR1 (0.37) LMNATP53CNR1CNR2TRPA1
SCHEMBL6729273 0.75 SMN1; SMN2 (0.38) LMNATP53SMN1; SMN2HSD17B10TSHR
SCHEMBL8436372 0.75 KDM4E (0.39) LMNATP53SMN1; SMN2HSD17B10TSHR
SCHEMBL6729276 0.75 SMN1; SMN2 (0.38) LMNATP53SMN1; SMN2HSD17B10TSHR
SCHEMBL9768528 0.73 SMN1; SMN2 (0.36) SMN1; SMN2HSD17B10TSHR
SCHEMBL12847744 0.73 MEN1 (0.46) SMN1; SMN2HSD17B10TSHR
SCHEMBL3372697 0.73 SMN1; SMN2 (0.34) LMNATP53SMN1; SMN2CNR1CNR2
SCHEMBL8436366 0.73 SMN1; SMN2 (0.36) SMN1; SMN2HSD17B10TSHR

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 2 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