SCHEMBL28047583

SCHEMBL28047583

CC(C)c1ccc(CN)cc1CC(N)=O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
CA2 P00918 1/20 0.38
PLG P00747 2/20 0.35
KLK1 P06870 2/20 0.35
KLK6 Q92876 2/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
ICMT O60725 1/20 0.35
LOXL2 Q9Y4K0 2/20 0.34
CSNK2A1 P68400 1/20 0.34

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
SCHEMBL28859392 0.85 LOXL2 (0.37) HSP90AA1HSP90AB1CA2CYP2D6CYP2C19
SCHEMBL28135905 0.79 SIRT1 (0.49) HSP90AA1HSP90AB1ICMT
SCHEMBL28215321 0.77 CSNK2A1 (0.55) CYP2D6CYP2C19CSNK2A1
SCHEMBL28215301 0.75 ICMT (0.46) HSP90AA1HSP90AB1ICMT
SCHEMBL28342984 0.75 CA2 (0.41) CA2PLG
SCHEMBL29467944 0.75 CA2 (0.41) CA2ICMTLOXL2
SCHEMBL26687922 0.75 CA2 (0.41) CA2ICMTLOXL2
SCHEMBL28215313 0.74 HSD17B10 (0.47) CA2
SCHEMBL4983030 0.74 HSP90AA1 (0.47) HSP90AA1HSP90AB1CA2ICMT
SCHEMBL29718608 0.74 HSP90AA1 (0.47) HSP90AA1HSP90AB1CA2ICMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106572658-B Molecule and relative intermediate, composition and method with certain disinsection efficiencies 美国陶氏益农公司 2019-11-08 CN disclosed
CN-107573295-A Molecule and intermediate, composition and its correlation technique with certain agricultural chemicals effectiveness 美国陶氏益农公司 2018-01-12 CN disclosed
CN-105209450-B Molecules and intermediates having pesticidal utility, compositions and methods relating thereto 美国陶氏益农公司 2017-10-20 CN disclosed
CN-106572658-A Molecules having certain pesticidal utilities, and intermediates, compositions, and processes related thereto 美国陶氏益农公司 2017-04-19 CN disclosed
CN-105209450-A Molecules and intermediates having pesticidal utility, compositions and methods relating thereto DOW AGROSCIENCES LLC 2015-12-30 CN disclosed