SCHEMBL9065707

SCHEMBL9065707

C=CCOC(C)COC(=O)COc1ccc(Cl)c2cccnc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.54
KDM4E B2RXH2 10/20 0.48
TDP1 Q9NUW8 3/20 0.48
ALOX12 P18054 3/20 0.48
CYP3A4 P08684 1/20 0.48
MAPT P10636 5/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 6/20 0.44
HSP90AA1 P07900 2/20 0.43
CCR6 P51684 2/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 3/20 0.42
HTT P42858 1/20 0.42
TSHR P16473 2/20 0.41
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 0.39

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
SCHEMBL30158490 0.87 PKM (0.60) PKMKDM4ETDP1ALOX12CYP3A4
SCHEMBL4902562 0.87 PKM (0.60) PKMKDM4ETDP1ALOX12CYP3A4
SCHEMBL9065818 0.85 PKM (0.58) PKMKDM4ETDP1ALOX12CYP3A4
SCHEMBL29514512 0.85 PKM (0.53) PKMKDM4ETDP1ALOX12CYP3A4
SCHEMBL341876 0.85 PKM (0.53) PKMKDM4ETDP1ALOX12CYP3A4
SCHEMBL29126819 0.84 PKM (0.62) PKMKDM4ETDP1ALOX12CYP3A4
SCHEMBL9065232 0.82 PKM (0.60) PKMKDM4ETDP1ALOX12CYP3A4
SCHEMBL9830696 0.82 PKM (0.60) PKMKDM4ETDP1ALOX12CYP3A4
SCHEMBL9829436 0.81 PKM (0.61) PKMKDM4ETDP1ALOX12CYP3A4
SCHEMBL341039 0.81 PKM (0.53) PKMKDM4ETDP1ALOX12CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5488027-A Herbicide-safener combinations containing sulfonylurea or imidazolinone herbicides HOECHST AKTIENGESELLSCHAFT (DE) 1996-01-30 US disclosed
US-5441922-A Blended with quinoline and phenylazole derivatives as safening agents HOECHST AKTIENGESELLSCHAFT (DE) 1995-08-15 US disclosed