SCHEMBL10987288

SCHEMBL10987288

CCOC(=O)C(C)Oc1ccc(N(C)c2nc(Cl)c3cc(Cl)ccc3c2Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.42
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 2/20 0.39
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CYP1A2 P05177 2/20 0.37
HPGD P15428 2/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
NFKB1 P19838 1/20 0.37
HIF1A Q16665 1/20 0.37
GMNN O75496 1/20 0.37

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
SCHEMBL10985707 0.90 CYP1A2 (0.38) EPHX2L3MBTL1LMNAALDH1A1SMN1; SMN2
SCHEMBL10985791 0.89 LMNA (0.46) EPHX2KMT2AL3MBTL1LMNAALDH1A1
SCHEMBL11191736 0.85 L3MBTL1 (0.41) EPHX2KMT2AL3MBTL1LMNAALDH1A1
SCHEMBL10975713 0.83 KMT2A (0.43) EPHX2KMT2AL3MBTL1LMNAPSEN1
SCHEMBL10734394 0.82 KMT2A (0.42) EPHX2KMT2AL3MBTL1LMNAALDH1A1
SCHEMBL10737597 0.82 CSF1R (0.47) EPHX2KMT2AL3MBTL1LMNACYP1A2
SCHEMBL10977426 0.82 LMNA (0.45) EPHX2KMT2AL3MBTL1LMNAALDH1A1
SCHEMBL10980423 0.78 KMT2A (0.42) EPHX2KMT2AL3MBTL1LMNAPSEN1
SCHEMBL10980006 0.78 EPHX2 (0.42) EPHX2KMT2AL3MBTL1LMNAPSEN1
SCHEMBL10684964 0.78 LMNA (0.45) EPHX2KMT2AL3MBTL1LMNAALDH1A1

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-0048539-B1 ISOQUINOLYLOXY(AMINO)PHENOXYALKANE CARBOXYLIC ACID DERIVATIVES, PROCESS FOR THEIR SYNTHESIS, HERBICIDAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS HERBICIDES ICI AUSTRALIA LIMITED (AU) 1985-08-28 EP disclosed
US-4409017-A Herbicidal isoquinolinoxy- or isoquinolinamino-phenoxy alkane carboxylic acid derivatives ICI AUSTRALIA LIMITED (AU) 1983-10-11 US disclosed
EP-0048539-A1 Isoquinolyloxy(amino)phenoxyalkane carboxylic acid derivatives, process for their synthesis, herbicidal compositions containing them and their use as herbicides ICI AUSTRALIA LIMITED (AU) 1982-03-31 EP disclosed