SCHEMBL13086253

SCHEMBL13086253

CC(=O)Oc1ccccc1C(=O)OCOC(=O)c1ccc(OCCCON(O)O)c(OC(=O)CCNC(=O)OC(C)(C)C)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.35
ALDH1A1 P00352 4/20 0.35
HPGD P15428 3/20 0.35
NPSR1 Q6W5P4 3/20 0.35
LMNA P02545 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PTGS2 P35354 2/20 0.34
KDM4E B2RXH2 2/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
HIF1A Q16665 1/20 0.34
HSP90AA1 P07900 2/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 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
SCHEMBL13086444 0.98 PTGS2 (0.36) MAPTALDH1A1HPGDNPSR1LMNA
SCHEMBL13086319 0.93 PTGS2 (0.35) MAPTALDH1A1HPGDNPSR1LMNA
SCHEMBL13086370 0.87 EPHX2 (0.37) MAPTALDH1A1HPGDNPSR1HSD17B10
SCHEMBL13085766 0.86 PTGS2 (0.34) MAPTALDH1A1HPGDNPSR1HSD17B10
SCHEMBL13086407 0.86 PTGS2 (0.39) MAPTALDH1A1HPGDNPSR1LMNA
SCHEMBL13086453 0.86 PTGS2 (0.38) MAPTALDH1A1HPGDNPSR1HSD17B10
SCHEMBL13086251 0.84 PTGS2 (0.41) MAPTALDH1A1HPGDNPSR1LMNA
SCHEMBL13086283 0.83 PTGS2 (0.40) MAPTALDH1A1HPGDNPSR1LMNA
SCHEMBL13086523 0.81 ALDH1A1 (0.41) MAPTALDH1A1HPGDNPSR1LMNA
SCHEMBL13086303 0.81 PTGS2 (0.39) MAPTALDH1A1HPGDNPSR1LMNA

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-2010118968-A1 NO-DONOR ASPIRIN DERIVATIVES NICOX S.A. (FR) 2010-10-21 WO disclosed