SCHEMBL10915307

SCHEMBL10915307

CCOC(=O)C(C)Oc1ccc(Oc2ccc3cc(F)ccc3n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.46
▸ GAA P10253 3/20 0.43
▸ LMNA P02545 3/20 0.43
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ KMT2A Q03164 4/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ HPGD P15428 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ MAPT P10636 4/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ TP53 P04637 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ GMNN O75496 1/20 0.41
▸ APEX1 P27695 1/20 0.41

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
SCHEMBL11304752 0.91 GAA (0.44) TSHRGAALMNAL3MBTL1TDP1
SCHEMBL11404881 0.89 MAPT (0.50) LMNAL3MBTL1KMT2AMEN1HPGD
SCHEMBL10877255 0.89 TSHR (0.42) TSHRGAALMNATDP1KMT2A
SCHEMBL10839775 0.88 GAA (0.43) TSHRGAAL3MBTL1TDP1KMT2A
SCHEMBL10916449 0.87 L3MBTL1 (0.43) TSHRGAALMNAL3MBTL1TDP1
SCHEMBL8508876 0.87 MAPT (0.53) TSHRGAALMNAL3MBTL1TDP1
SCHEMBL10838863 0.86 CYP1A2 (0.43) GAALMNATDP1HPGDSMN1; SMN2
SCHEMBL10953475 0.86 MAPT (0.39) TSHRGAALMNAL3MBTL1TDP1
SCHEMBL9587752 0.85 MAPT (0.45) LMNAL3MBTL1KMT2AMEN1HPGD
Hydrochloric Acid SCHEMBL10947196 0.85 CYP1A2 (0.43) GAALMNATDP1HPGDSMN1; SMN2

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 3 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-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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