SCHEMBL9831356

SCHEMBL9831356

CC(C)CCC(C)OC(=O)COc1ccc(Cl)c2cccnc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.60
KDM4E B2RXH2 8/20 0.53
ALOX12 P18054 2/20 0.53
CYP3A4 P08684 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
MAPT P10636 5/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
GAA P10253 1/20 0.50
L3MBTL1 Q9Y468 3/20 0.47
MAPK1 P28482 1/20 0.46
NPSR1 Q6W5P4 2/20 0.46
HTT P42858 1/20 0.46
CCR6 P51684 2/20 0.45
HSP90AA1 P07900 1/20 0.45
ALDH1A1 P00352 3/20 0.44
KMT2A Q03164 3/20 0.44
HSD17B10 Q99714 2/20 0.44
MEN1 O00255 2/20 0.44
CGAS Q8N884 1/20 0.43
NPC1 O15118 1/20 0.43

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
SCHEMBL9828624 0.91 PKM (0.60) PKMKDM4EALOX12CYP3A4TDP1
SCHEMBL339943 0.91 PKM (0.62) PKMKDM4EALOX12CYP3A4TDP1
SCHEMBL9831364 0.91 PKM (0.62) PKMKDM4EALOX12CYP3A4TDP1
SCHEMBL9829190 0.91 PKM (0.62) PKMKDM4EALOX12CYP3A4TDP1
SCHEMBL29452841 0.91 PKM (0.62) PKMKDM4EALOX12CYP3A4TDP1
SCHEMBL9830914 0.89 PKM (0.57) PKMKDM4EALOX12CYP3A4TDP1
SCHEMBL9245052 0.89 PKM (0.62) PKMKDM4EALOX12CYP3A4TDP1
SCHEMBL9828522 0.88 MAPT (0.61) PKMKDM4EALOX12CYP3A4TDP1
SCHEMBL96159 0.88 MAPT (0.61) PKMKDM4EALOX12CYP3A4TDP1
SCHEMBL29452812 0.88 MAPT (0.61) PKMKDM4EALOX12CYP3A4TDP1

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
EP-0191736-B1 USE OF QUINOLINE DERIVATIVES FOR THE PROTECTION OF CROP PLANTS CIBA-GEIGY AG (CH) 1991-07-17 EP claimed
US-4881966-A PLANT SAFENING AGENTS CIBA-GEIGY CORPORATION (US) 1989-11-21 US disclosed