SCHEMBL9829610

SCHEMBL9829610

CCc1ccc(OCC(C)OC(=O)COc2ccc(Cl)c3cccnc23)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.53
MAPT P10636 5/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
NPSR1 Q6W5P4 2/20 0.47
HTT P42858 1/20 0.47
KDM4E B2RXH2 9/20 0.47
ALOX12 P18054 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
CYP3A4 P08684 1/20 0.47
L3MBTL1 Q9Y468 4/20 0.45
CCR6 P51684 2/20 0.44
HSP90AA1 P07900 1/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.41
KMT2A Q03164 3/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 2/20 0.39
NPC1 O15118 2/20 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
SCHEMBL9829256 0.90 PKM (0.54) PKMMAPTSMN1; SMN2NPSR1HTT
SCHEMBL9830252 0.90 PKM (0.54) PKMMAPTSMN1; SMN2NPSR1HTT
SCHEMBL9828540 0.90 PKM (0.56) PKMMAPTSMN1; SMN2NPSR1HTT
SCHEMBL9829418 0.90 PKM (0.50) PKMMAPTSMN1; SMN2NPSR1HTT
SCHEMBL9830675 0.85 KDM4E (0.54) PKMMAPTSMN1; SMN2NPSR1HTT
SCHEMBL9245052 0.85 PKM (0.62) PKMMAPTSMN1; SMN2NPSR1HTT
SCHEMBL9829695 0.84 PKM (0.52) PKMMAPTSMN1; SMN2NPSR1HTT
SCHEMBL9828624 0.83 PKM (0.60) PKMMAPTSMN1; SMN2NPSR1HTT
SCHEMBL339943 0.82 PKM (0.62) PKMMAPTSMN1; SMN2NPSR1HTT
SCHEMBL9831364 0.82 PKM (0.62) PKMMAPTSMN1; SMN2NPSR1HTT

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