SCHEMBL9828540

SCHEMBL9828540

CC(COc1ccccc1)OC(=O)COc1ccc(Cl)c2cccnc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.56
MAPT P10636 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
KDM4E B2RXH2 7/20 0.50
CYP3A4 P08684 1/20 0.50
ALOX12 P18054 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.45
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
HSP90AA1 P07900 1/20 0.43
CCR6 P51684 1/20 0.43
ADAMTS5 Q9UNA0 4/20 0.42
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL9829256 0.92 PKM (0.54) PKMMAPTSMN1; SMN2KDM4ECYP3A4
SCHEMBL9830252 0.92 PKM (0.54) PKMMAPTSMN1; SMN2KDM4ECYP3A4
SCHEMBL9829610 0.90 PKM (0.53) PKMMAPTSMN1; SMN2KDM4ECYP3A4
SCHEMBL9829695 0.89 PKM (0.52) PKMMAPTSMN1; SMN2KDM4ECYP3A4
SCHEMBL9832184 0.88 PKM (0.54) PKMMAPTSMN1; SMN2KDM4ECYP3A4
SCHEMBL9829418 0.88 PKM (0.50) PKMMAPTSMN1; SMN2KDM4ECYP3A4
SCHEMBL9828192 0.87 PKM (0.58) PKMMAPTSMN1; SMN2KDM4ECYP3A4
SCHEMBL9830675 0.87 KDM4E (0.54) PKMMAPTSMN1; SMN2KDM4ECYP3A4
SCHEMBL9831220 0.87 PKM (0.53) PKMMAPTSMN1; SMN2KDM4ECYP3A4
SCHEMBL9831364 0.86 PKM (0.62) PKMMAPTSMN1; SMN2KDM4ECYP3A4

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