SCHEMBL18159276

SCHEMBL18159276

CCOCCOC(=O)Cc1ccc(OC)c(N)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.49
L3MBTL1 Q9Y468 3/20 0.48
ALDH1A1 P00352 4/20 0.46
GFER P55789 1/20 0.46
ALOX5 P09917 1/20 0.45
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
YWHAG P61981 1/20 0.43
ALK Q9UM73 1/20 0.42
MAPT P10636 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
GLA P06280 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
SCHEMBL5100328 0.88 GAA (0.56) GAAL3MBTL1ALDH1A1GFERLMNA
Hydrochloric Acid SCHEMBL6986916 0.86 GAA (0.54) GAAL3MBTL1ALDH1A1GFERLMNA
SCHEMBL7247237 0.80 ALDH1A1 (0.69) GAAL3MBTL1ALDH1A1GFERLMNA
Hydrochloric Acid SCHEMBL6983661 0.79 ALDH1A1 (0.67) GAAL3MBTL1ALDH1A1GFERLMNA
SCHEMBL31530756 0.77 ALDH1A1 (0.58) GAAL3MBTL1ALDH1A1GFERALOX5
SCHEMBL11628393 0.77 YWHAG (0.42) L3MBTL1ALDH1A1ALOX5LMNAYWHAG
SCHEMBL13594698 0.76 ALDH1A1 (0.56) GAAL3MBTL1ALDH1A1GFERALOX5
Hydrochloric Acid SCHEMBL6986396 0.76 CYP4F2 (0.54) GAAL3MBTL1ALDH1A1ALOX5LMNA
SCHEMBL3755985 0.75 GAA (0.68) GAAL3MBTL1ALDH1A1GFERLMNA
SCHEMBL6114177 0.75 GAA (0.62) GAAL3MBTL1ALDH1A1GFERLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016167511-A2 N2-(2-METHOXYPHENYL)PYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR CANCER PREVENTION OR TREATMENT CONTAINING SAME AS ACTIVE INGREDIENT 한국화학연구원 2016-10-20 WO disclosed