SCHEMBL692544

SCHEMBL692544

C=CCOC(Oc1ccc(Cl)c2cccnc12)(C(=O)O)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.49
ALOX12 P18054 2/20 0.49
CYP3A4 P08684 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
PKM P14618 1/20 0.47
GAA P10253 2/20 0.47
MAPT P10636 5/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 3/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 4/20 0.42
HSP90AA1 P07900 2/20 0.42
CCR6 P51684 2/20 0.42
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 3/20 0.41
HSD17B10 Q99714 2/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL600131 0.79 KDM4E (0.59) KDM4EALOX12CYP3A4TDP1PKM
SCHEMBL30027465 0.79 KDM4E (0.59) KDM4EALOX12CYP3A4TDP1PKM
SCHEMBL1812882 0.75 KDM4E (0.56) KDM4EALOX12CYP3A4TDP1PKM
SCHEMBL167829 0.74 KDM4E (0.52) KDM4EALOX12CYP3A4TDP1PKM
SCHEMBL600529 0.74 KDM4E (0.47) KDM4EALOX12CYP3A4TDP1PKM
SCHEMBL28455383 0.73 KDM4E (0.55) KDM4EALOX12CYP3A4TDP1PKM
Propene SCHEMBL29256312 0.73 KDM4E (0.49) KDM4EALOX12CYP3A4TDP1PKM
SCHEMBL29155525 0.73 KDM4E (0.54) KDM4EALOX12CYP3A4TDP1PKM
SCHEMBL571602 0.73 KDM4E (0.63) KDM4EALOX12CYP3A4TDP1PKM
SCHEMBL4902562 0.73 PKM (0.60) KDM4EALOX12CYP3A4TDP1PKM

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-2618667-A2 USE OF BIOLOGICAL OR CHEMICAL CONTROL AGENTS FOR CONTROLLING INSECTS AND NEMATODES IN RESISTANT CROPS Bayer Intellectual Property GmbH (DE) 2013-07-31 EP disclosed
WO-2012038480-A2 USE OF BIOLOGICAL OR CHEMICAL CONTROL AGENTS FOR CONTROLLING INSECTS AND NEMATODES IN RESISTANT CROPS BAYER CROPSCIENCE AG (DE) 2012-03-29 WO disclosed
EP-2421371-A1 USE OF PROPINEB AS BIRD REPELLENT Bayer CropScience AG (DE) 2012-02-29 EP disclosed
WO-2010121735-A1 USE OF PROPINEB AS BIRD REPELLENT BAYER CROPSCIENCE AG (DE) 2010-10-28 WO disclosed