SCHEMBL10913708

SCHEMBL10913708

COC(=O)CCC(C)Oc1ccc(Oc2ccc3cc(Br)ccc3n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 1/20 0.39
▸ SCN9A Q15858 4/20 0.37
▸ CASP3 P42574 2/20 0.37
▸ PDE4B Q07343 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ HDAC1 Q13547 3/20 0.35
▸ HDAC2 Q92769 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ HDAC8 Q9BY41 2/20 0.35
▸ HDAC6 Q9UBN7 2/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ GMNN O75496 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35

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
SCHEMBL10915268 0.84 MAPT (0.40) EGFRCASP3HDAC1HDAC2LMNA
SCHEMBL11133757 0.83 EGFR (0.37) EGFRCASP3L3MBTL1HDAC1HDAC2
SCHEMBL10685175 0.82 ABL1 (0.39) EGFRCASP3HDAC8HDAC6RXFP1
SCHEMBL10838810 0.79 CYP1A2 (0.43) PDE4BL3MBTL1LMNATP53CYP1A2
SCHEMBL10939181 0.78 TSHR (0.42) SCN9ALMNAALDH1A1MAPTHPGD
SCHEMBL10916449 0.78 L3MBTL1 (0.43) L3MBTL1LMNATP53CYP1A2CYP3A4
SCHEMBL10681199 0.77 KMT2A (0.39) EGFRLMNARXFP1ALDH1A1MAPT
SCHEMBL10983915 0.75 F2 (0.36) PDE4BL3MBTL1HDAC1HDAC2LMNA
SCHEMBL11398013 0.74 P2RX3 (0.39) HDAC1HDAC2LMNARXFP1TP53
SCHEMBL11108750 0.74 BACE1 (0.45) PDE4BL3MBTL1HDAC1HDAC2LMNA

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
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