SCHEMBL7314381

SCHEMBL7314381

C#CCN(C=O)C(=O)OCC

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP2C9 P11712 1/20 0.32
ALOX15 P16050 1/20 0.31
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
SOAT1 P35610 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
CTDSP1 Q9GZU7 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
SCHEMBL9320930 0.75 ALDH1A1 (0.37) ALDH1A1LMNAHSD17B10CYP2C9ALOX15
SCHEMBL27407129 0.74 MEN1 (0.35) ALDH1A1LMNAHSD17B10GAACTDSP1
SCHEMBL2007137 0.72 CA1 (0.35) ALDH1A1LMNAHSD17B10CYP2C9ALOX15
SCHEMBL7308752 0.72 ALDH1A1 (0.35) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL29076264 0.70
Acetic Acid SCHEMBL8846281 0.69 ALDH1A1 (0.32) ALDH1A1LMNAHSD17B10HCAR2CTDSP1
SCHEMBL7518459 0.69 DPP4 (0.39) ALDH1A1LMNAHSD17B10CYP2C9ALOX15
SCHEMBL11099621 0.69 ALDH1A1 (0.43) ALDH1A1LMNAHSD17B10CYP2C9ALOX15
SCHEMBL1169095 0.67 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10CYP2C9ALOX15
SCHEMBL5261670 0.67

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
EP-0588655-B1 Amidinophenol derivatives ONO PHARMACEUTICAL CO (JP) 1996-12-04 EP claimed