SCHEMBL9065780

SCHEMBL9065780

CC(=O)ON=C(C)CCCOC(=O)COc1ccc(Cl)c2cccnc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.53
KDM4E B2RXH2 9/20 0.52
TDP1 Q9NUW8 2/20 0.52
ALOX12 P18054 2/20 0.52
CYP3A4 P08684 1/20 0.52
MAPT P10636 5/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 3/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 5/20 0.40
HSP90AA1 P07900 2/20 0.40
CCR6 P51684 2/20 0.40
ALDH1A1 P00352 4/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
HSD17B10 Q99714 2/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL9065861 0.89 PKM (0.55) PKMKDM4ETDP1ALOX12CYP3A4
SCHEMBL9065478 0.85 PKM (0.57) PKMKDM4ETDP1ALOX12CYP3A4
SCHEMBL9065471 0.83 PKM (0.63) PKMKDM4ETDP1ALOX12CYP3A4
SCHEMBL9250237 0.82 PKM (0.62) PKMKDM4ETDP1ALOX12CYP3A4
SCHEMBL9862569 0.81 PKM (0.61) PKMKDM4ETDP1ALOX12CYP3A4
SCHEMBL7116558 0.81 PKM (0.57) PKMKDM4ETDP1ALOX12CYP3A4
SCHEMBL9245358 0.81 PKM (0.60) PKMKDM4ETDP1ALOX12CYP3A4
SCHEMBL9245424 0.81 PKM (0.60) PKMKDM4ETDP1ALOX12CYP3A4
SCHEMBL9245440 0.81 PKM (0.60) PKMKDM4ETDP1ALOX12CYP3A4
SCHEMBL9248708 0.81 PKM (0.60) 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