SCHEMBL28875134

SCHEMBL28875134

CCOC(N)(OCC)C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.42
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.32
HSD17B10 Q99714 2/20 0.32
GAA P10253 2/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MGAM O43451 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
SOAT1 P35610 1/20 0.31
PARP10 Q53GL7 1/20 0.30

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
SCHEMBL151433 0.79 ALDH1A1 (0.37) ALOX15ALDH1A1LMNAHSD17B10GAA
SCHEMBL16028759 0.74
SCHEMBL23092079 0.74 ALOX15 (0.42) ALOX15ALDH1A1LMNAHSD17B10GAA
SCHEMBL29240420 0.72 ALOX15 (0.40) ALOX15ALDH1A1LMNAHSD17B10
SCHEMBL27462342 0.72
SCHEMBL13698699 0.72
SCHEMBL3393438 0.72 DGAT1 (0.40) ALOX15
SCHEMBL4283572 0.70 ALOX15 (0.39) ALOX15ALDH1A1
SCHEMBL2171395 0.70 ALOX15 (0.39) ALOX15ALDH1A1LMNAHSD17B10PARP10
SCHEMBL17652006 0.70 ALOX15 (0.39) ALOX15ALDH1A1LMNAHSD17B10PARP10

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
CN-110214012-A Azole pyrimidines for the treatment of cancer-related diseases 艾库斯生物科学有限公司 2019-09-06 CN disclosed
CN-110049767-A Inhibitors of adenosine 5' -nucleotidase 艾库斯生物科学有限公司 2019-07-23 CN disclosed