SCHEMBL28017267

SCHEMBL28017267

C/C=C/C(=O)Oc1ccccc1CC(CC(CCCC)[N+](=O)[O-])[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
TSHR P16473 1/20 0.34
PTGES O14684 1/20 0.33
ALOX5 P09917 1/20 0.33
PPARG P37231 1/20 0.33
KMT2A Q03164 2/20 0.32
RAB9A P51151 2/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 1/20 0.32
RECQL P46063 1/20 0.32
ZDHHC2 Q9UIJ5 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
POLB P06746 1/20 0.31
HPGD P15428 2/20 0.30
MAPT P10636 1/20 0.30
HSD17B10 Q99714 1/20 0.30
GAA P10253 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
SCHEMBL28083879 1.00 THRA (0.41) THRATHRBTSHRPTGESALOX5
SCHEMBL1868225 0.87 THRA (0.37) THRATHRBTSHRKMT2ARAB9A
SCHEMBL1868222 0.87 THRA (0.37) THRATHRBTSHRKMT2ARAB9A
SCHEMBL11557107 0.83 THRA (0.36) THRATHRBRAB9AKDM4EL3MBTL1
SCHEMBL27686233 0.76 TSHR (0.40) TSHRPPARGKMT2AMEN1
SCHEMBL11760844 0.75 ALDH1A1 (0.33) TSHRKMT2AKDM4EMEN1RECQL
SCHEMBL1858014 0.74 THRA (0.49) THRATHRBPPARGRAB9AKDM4E
SCHEMBL11557112 0.74 THRA (0.49) THRATHRBPPARGRAB9AKDM4E
SCHEMBL2491191 0.73 THRA (0.71) THRATHRBALOX5PPARGZDHHC2
SCHEMBL8522279 0.72 THRA (0.73) THRATHRBALOX5PPARGZDHHC2

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
CN-105165883-B Fungicidal mixture based on azoles and pyrimidine radicals amine 巴斯夫欧洲公司 2018-01-30 CN disclosed
CN-104703982-B Pyrazole compound and the pesticide combination comprising pyrazole compound 巴斯夫欧洲公司 2018-01-05 CN disclosed
CN-105050406-B Composition comprising triazole compound 巴斯夫农业公司 2017-09-15 CN disclosed
CN-105165883-A Fungicidal Mixtures Based On Azolopyrimidinylamines BASF AG 2015-12-23 CN disclosed
CN-103155942-B Based on azoles and the Fungicidal mixture of pyrimidine radicals amine BASF SE (DE) 2015-10-28 CN disclosed
CN-104604873-A Fungicidal mixtures containing substituted 1-methyl pyrazol-4-yl carboxylic acid anilides BASF AG 2015-05-13 CN disclosed