SCHEMBL24315641

SCHEMBL24315641

CCOC(=O)CC(C(=O)O)=C(NC)NC

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.54
MGAM O43451 1/20 0.54
SI P14410 1/20 0.54
MGAM2 Q2M2H8 1/20 0.54
ALDH1A1 P00352 4/20 0.40
TRPA1 O75762 1/20 0.40
ALOX15 P16050 2/20 0.37
CYP1A2 P05177 1/20 0.35
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
SOAT1 P35610 1/20 0.33
TSHR P16473 1/20 0.33
PPID Q08752 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL6517135 0.85 GAA (0.67) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL6517129 0.85 GAA (0.67) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL24315615 0.82 EPHX1 (0.44) ALDH1A1CYP1A2LMNATSHR
SCHEMBL24315640 0.81 MGAM (0.42) GAAMGAMSIMGAM2LMNA
SCHEMBL6519748 0.79 GAA (0.58) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL27584048 0.79 GAA (0.58) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL6519745 0.79 GAA (0.58) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL6518774 0.78 GAA (0.56) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL6518767 0.78 GAA (0.56) GAAMGAMSIMGAM2ALDH1A1
Malonic Acid Diethyl Ester SCHEMBL30173469 0.77 GAA (0.68) GAAMGAMSIMGAM2ALDH1A1

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-3359580-B1 POLYMER HAVING ANTIMICROBIAL AND/OR ANTIFOULING PROPERTIES UNIV FREIBURG ALBERT LUDWIGS (DE) 2022-03-30 EP disclosed
US-9585884-B2 Pyrimidinone inhibitors of lipoprotein-associated phospholipase A2 AUSPEX PHARMACEUTICALS, INC. (US) 2017-03-07 US disclosed