SCHEMBL9828192

SCHEMBL9828192

CC(Cc1ccccc1)OC(=O)COc1ccc(Cl)c2cccnc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.58
KDM4E B2RXH2 9/20 0.52
CYP3A4 P08684 1/20 0.52
ALOX12 P18054 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MAPT P10636 4/20 0.49
GAA P10253 2/20 0.49
MAPK1 P28482 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
KMT2A Q03164 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
HSP90AA1 P07900 1/20 0.44
CCR6 P51684 1/20 0.44
ALDH1A1 P00352 3/20 0.43
HSD17B10 Q99714 2/20 0.43
MEN1 O00255 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
SCHEMBL9828717 0.91 PKM (0.55) PKMKDM4ECYP3A4ALOX12TDP1
SCHEMBL29452841 0.88 PKM (0.62) PKMKDM4ECYP3A4ALOX12TDP1
SCHEMBL9245052 0.88 PKM (0.62) PKMKDM4ECYP3A4ALOX12TDP1
SCHEMBL339943 0.88 PKM (0.62) PKMKDM4ECYP3A4ALOX12TDP1
SCHEMBL9831364 0.88 PKM (0.62) PKMKDM4ECYP3A4ALOX12TDP1
SCHEMBL9829190 0.88 PKM (0.62) PKMKDM4ECYP3A4ALOX12TDP1
SCHEMBL9828540 0.87 PKM (0.56) PKMKDM4ECYP3A4ALOX12TDP1
SCHEMBL9134176 0.86 PKM (0.66) PKMKDM4ECYP3A4ALOX12TDP1
SCHEMBL9829073 0.86 PKM (0.60) PKMKDM4ECYP3A4ALOX12TDP1
SCHEMBL9828624 0.86 PKM (0.60) PKMKDM4ECYP3A4ALOX12TDP1

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