SCHEMBL10915313

SCHEMBL10915313

COC(=O)C(C)Oc1ccc(N(C)c2ccc3cc(Cl)ccc3n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP1A2 P05177 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
NFKB1 P19838 1/20 0.40
HIF1A Q16665 1/20 0.40
GMNN O75496 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
APEX1 P27695 1/20 0.40
PMP22 Q01453 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL11403854 0.89 MAP4K4 (0.43) MAPTCYP1A2SMN1; SMN2LMNATP53
SCHEMBL11270736 0.86 MAPT (0.49) MAPTMEN1KMT2AL3MBTL1CYP1A2
SCHEMBL10915539 0.85 MAPT (0.45) MAPTMEN1KMT2AL3MBTL1CYP1A2
SCHEMBL10915735 0.85 MEN1 (0.46) MAPTMEN1KMT2AL3MBTL1CYP1A2
SCHEMBL10684245 0.84 MAPT (0.47) MAPTMEN1KMT2AL3MBTL1CYP1A2
SCHEMBL11168520 0.83 CYP1A2 (0.52) MAPTMEN1KMT2AL3MBTL1CYP1A2
SCHEMBL10983971 0.83 MAPT (0.43) MAPTMEN1KMT2AL3MBTL1CYP1A2
SCHEMBL11434753 0.82 MAPT (0.46) MAPTMEN1KMT2AL3MBTL1CYP1A2
SCHEMBL10978501 0.81 MAPT (0.44) MAPTMEN1KMT2AL3MBTL1CYP1A2
SCHEMBL7610992 0.81 MAPT (0.56) MAPTMEN1KMT2AL3MBTL1CYP1A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0029319-B1 QUINOLINYLOXY(AMINO)PHENOXYALKANE CARBOXYLIC ACID DERIVATIVES, PROCESS FOR THEIR SYNTHESIS, HERBICIDAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS HERBICIDES ICI AUSTRALIA LIMITED (AU) 1986-01-15 EP disclosed
US-4444584-A Ethyl 2[4-(7-chloroquinolin-3-yloxy)phenoxy]propionate, the N-oxide, and herbicidal compositions and methods employing them ICI AUSTRALIA LIMITED (AU) 1984-04-24 US disclosed
EP-0098751-A2 Quinolinyloxy(amino)phenols and alkoxyphenyloxy(amino)quinolines ICI AUSTRALIA LIMITED (AU) 1984-01-18 EP disclosed
EP-0029319-A2 Quinolinyloxy(amino)phenoxyalkane carboxylic acid derivatives, process for their synthesis, herbicidal compositions containing them and their use as herbicides ICI AUSTRALIA LIMITED (AU) 1981-05-27 EP disclosed