SCHEMBL2900850

SCHEMBL2900850

COc1nn(C)cc1OC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.38
GLA P06280 1/20 0.38
PDE10A Q9Y233 1/20 0.36
GAA P10253 2/20 0.35
POLB P06746 2/20 0.35
MEN1 O00255 3/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
PAX8 Q06710 1/20 0.31
MAP3K5 Q99683 3/20 0.31
CYP2C9 P11712 2/20 0.31
KCNH2 Q12809 2/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL3256552 0.84 KMT2A (0.40) KMT2AGLAGAAPOLBMEN1
SCHEMBL3252618 0.79 CUL4A (0.39) KMT2AGLAGAAPOLBMEN1
SCHEMBL2901127 0.78 RAB9A (0.40) KMT2AGAAPOLBMEN1ALDH1A1
SCHEMBL5983691 0.76 PDE10A (0.31) KMT2AGLAPDE10AGAA
SCHEMBL2516540 0.74 POLB (0.44) KMT2AGAAPOLBMEN1SMN1; SMN2
SCHEMBL3255281 0.74 NPSR1 (0.32) KMT2APDE10AALDH1A1NPC1RAB9A
Hydrochloric Acid SCHEMBL29002478 0.73 POLB (0.43) KMT2AGAAPOLBMEN1SMN1; SMN2
SCHEMBL1136291 0.72 GAA (0.31) GAA
SCHEMBL1406152 0.72 GAA (0.49) KMT2AGAAPOLBMEN1ALDH1A1
SCHEMBL16105746 0.72 GAA (0.34) GAASMN1; SMN2RAB9ACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1678141-B1 1,3-DIMETHYLBUTYL CARBOXANILIDES FOR CONTROLLING UNDESIRABLE MICRO-ORGANISMS BAYER CROPSCIENCE AG (DE) 2014-02-12 EP disclosed
EP-2192115-B1 1,3-DIMETHYLBUTYLCARBOXANILIDES FOR CONTROLLING UNDESIRABLE MICRO-ORGANISMS BAYER CROPSCIENCE AG (DE) 2014-02-12 EP disclosed
EP-2236505-A1 Acylated aminopyridines and pyridazines as insecticides Bayer CropScience AG (DE) 2010-10-06 EP disclosed
EP-2192115-A1 1,3-dimethylbutylcarboxanilides for controlling undesirable micro-organisms Bayer CropScience AG (DE) 2010-06-02 EP disclosed
EP-1678141-A1 1,3-DIMETHYLBUTYL CARBOXANILIDES FOR CONTROLLING UNDESIRABLE MICRO-ORGANISMS Bayer CropScience Aktiengesellschaft (DE) 2006-07-12 EP disclosed
WO-2005042492-A1 1,3-DIMETHYLBUTYL CARBOXANILIDES FOR CONTROLLING UNDESIRABLE MICRO-ORGANISMS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2005-05-12 WO disclosed