SCHEMBL10848873

SCHEMBL10848873

COC(=O)C(C)Oc1ccc(Oc2ccc3ccccc3n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.54
▸ KMT2A Q03164 4/20 0.54
▸ MEN1 O00255 3/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ KLK7 P49862 1/20 0.44
▸ ALOX5 P09917 1/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ CYP1A2 P05177 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ NPSR1 Q6W5P4 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
▸ HPGD P15428 1/20 0.40

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
SCHEMBL10916531 0.88 L3MBTL1 (0.52) MAPTKMT2AMEN1L3MBTL1ALOX5
SCHEMBL27258901 0.87 CYP1A2 (0.54) MAPTKMT2AALOX5SMN1; SMN2KDM4E
SCHEMBL30946259 0.87 CYP1A2 (0.54) MAPTKMT2AALOX5SMN1; SMN2KDM4E
SCHEMBL11010037 0.87 CYP1A2 (0.54) MAPTKMT2AALOX5SMN1; SMN2KDM4E
SCHEMBL10848314 0.84 ALOX5 (0.41) MAPTKMT2AMEN1L3MBTL1ALOX5
SCHEMBL10885983 0.84 HTT (0.60) MAPTKMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL11404881 0.83 MAPT (0.50) MAPTKMT2AMEN1L3MBTL1KLK7
SCHEMBL7610992 0.83 MAPT (0.56) MAPTKMT2AMEN1L3MBTL1KLK7
SCHEMBL11276002 0.80 MAPT (0.53) MAPTKMT2AMEN1L3MBTL1KLK7
SCHEMBL10915539 0.78 MAPT (0.45) MAPTKMT2AMEN1L3MBTL1KLK7

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
US-4629493-A NONPHYTOTOXIC TO BROAD LEAF PLANTS NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1986-12-16 — — US disclosed
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-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
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