SCHEMBL8437330

SCHEMBL8437330

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

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.37
CNR2 P34972 7/20 0.37
TRPA1 O75762 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
BCHE P06276 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
SCHEMBL9004525 0.81 CNR2 (0.46) CNR1CNR2TRPA1TRPV1LMNA
SCHEMBL8438041 0.79 LMNA (0.38) CNR1CNR2TRPA1TRPV1LMNA
SCHEMBL138083 0.78 ALDH1A1 (0.54) CNR1CNR2TRPA1TRPV1LMNA
SCHEMBL3372697 0.78 SMN1; SMN2 (0.34) CNR1CNR2TRPA1TRPV1LMNA
SCHEMBL20058252 0.76 SMN1; SMN2 (0.42) CNR1CNR2TRPA1TRPV1LMNA
Dimethylamine SCHEMBL9134759 0.75 ALDH1A1 (0.50) CNR1CNR2TRPA1TRPV1LMNA
SCHEMBL11792285 0.75 ALDH1A1 (0.44) LMNATP53
SCHEMBL14873854 0.73 CNR1 (0.30) CNR1CNR2TRPA1TRPV1LMNA
SCHEMBL17100068 0.73 CNR1 (0.30) CNR1CNR2TRPA1TRPV1LMNA
SCHEMBL17100067 0.73 CNR1 (0.30) CNR1CNR2TRPA1TRPV1LMNA

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