SCHEMBL6187403

SCHEMBL6187403

Nc1cc(CCO)ccc1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.49
TDP1 Q9NUW8 1/20 0.48
ALDH1A1 P00352 2/20 0.47
HSD17B10 Q99714 1/20 0.47
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
CSNK2A1 P68400 2/20 0.43
PDK2 Q15119 1/20 0.43
ALOX5 P09917 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
FOLH1 Q04609 1/20 0.40
ACMSD Q8TDX5 1/20 0.40
MAP4K4 O95819 1/20 0.39
CDC7 O00311 1/20 0.38
ALK Q9UM73 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL27509606 0.85 BACE1 (0.53) BACE1TDP1ALDH1A1HSD17B10SLC6A2
SCHEMBL3786057 0.85 ALDH1A1 (0.50) BACE1ALDH1A1HSD17B10SLC6A2SLC6A4
SCHEMBL3783312 0.81 CSNK2A1 (0.65) BACE1ALDH1A1HSD17B10CSNK2A1FOLH1
SCHEMBL98234 0.80 CYP1A2 (0.56) BACE1HSD17B10MAPTSMN1; SMN2
SCHEMBL6011376 0.80 MAP4K4 (0.45) BACE1TDP1CYP4F2CYP4A11ACMSD
SCHEMBL2865401 0.79 TDP1 (0.50) BACE1TDP1ALDH1A1CSNK2A1PDK2
SCHEMBL13957118 0.79 CSNK2A1 (0.49) BACE1ALDH1A1HSD17B10CSNK2A1ALOX5
SCHEMBL28171242 0.79 ALDH1A1 (0.48) BACE1ALDH1A1HSD17B10SLC6A2SLC6A4
SCHEMBL101148 0.79 MAPT (0.54) MAPTSMN1; SMN2
SCHEMBL10713778 0.79 LMNA (0.56) TDP1ALDH1A1HSD17B10KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1542977-A1 2,5-DIOXOIMIDAZOLIDIN-4-YL ACETAMIDES AND ANALOGUES AS INHIBITORS OF METALLOPROTEINASE MMP12. AstraZeneca AB (SE) 2005-06-22 EP disclosed
WO-2004020415-A1 2,5-DIOXOIMIDAZOLIDIN-4-YL ACETAMIDES AND ANALOGUES AS INHIBITORS OF METALLOPROTEINASE MMP12. ASTRAZENECA AB (SE) 2004-03-11 WO disclosed