SCHEMBL9065682

SCHEMBL9065682

C=C(C)COC(=O)COc1ccc(Cl)c2cccnc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.63
KDM4E B2RXH2 10/20 0.60
CYP3A4 P08684 1/20 0.60
ALOX12 P18054 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
MAPT P10636 5/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
GAA P10253 1/20 0.53
MAPK1 P28482 1/20 0.49
NPSR1 Q6W5P4 2/20 0.48
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 3/20 0.47
HSP90AA1 P07900 3/20 0.47
CCR6 P51684 1/20 0.47
ALDH1A1 P00352 3/20 0.46
KMT2A Q03164 3/20 0.46
HSD17B10 Q99714 2/20 0.46
MEN1 O00255 2/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL30026873 0.90 PKM (0.66) PKMKDM4ECYP3A4ALOX12TDP1
SCHEMBL342125 0.90 PKM (0.66) PKMKDM4ECYP3A4ALOX12TDP1
SCHEMBL9065478 0.88 PKM (0.57) PKMKDM4ECYP3A4ALOX12TDP1
SCHEMBL29514385 0.86 PKM (0.67) PKMKDM4ECYP3A4ALOX12TDP1
SCHEMBL342559 0.86 PKM (0.67) PKMKDM4ECYP3A4ALOX12TDP1
SCHEMBL9065471 0.86 PKM (0.63) PKMKDM4ECYP3A4ALOX12TDP1
SCHEMBL9065410 0.84 PKM (0.65) PKMKDM4ECYP3A4ALOX12TDP1
SCHEMBL9065527 0.84 PKM (0.58) PKMKDM4ECYP3A4ALOX12TDP1
SCHEMBL9065818 0.84 PKM (0.58) PKMKDM4ECYP3A4ALOX12TDP1
SCHEMBL1153422 0.84 PKM (0.74) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0407341-B1 Selective herbicidal agent CIBA GEIGY AG (CH) 1995-12-06 EP claimed
EP-0191736-B1 USE OF QUINOLINE DERIVATIVES FOR THE PROTECTION OF CROP PLANTS CIBA-GEIGY AG (CH) 1991-07-17 EP claimed
US-4902340-A Use of quinoline derivatives for the protection of cultivated plants from herbicides CIBA-GEIGY CORPORATION (US) 1990-02-20 US claimed
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
US-4881966-A PLANT SAFENING AGENTS CIBA-GEIGY CORPORATION (US) 1989-11-21 US disclosed