SCHEMBL2779229

SCHEMBL2779229

CC(C)(C)OC(=O)NCCC(=O)Oc1cc(C=O)ccc1OCCCO[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.41
ALDH1A1 P00352 7/20 0.41
HPGD P15428 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 3/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 2/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
HIF1A Q16665 1/20 0.39
CYP2C9 P11712 2/20 0.39
CYP1A2 P05177 1/20 0.39
HSP90AA1 P07900 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CA12 O43570 3/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 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
SCHEMBL2780213 0.98 MAPT (0.41) MAPTALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL2781215 0.86 ALDH1A1 (0.40) MAPTALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL2777905 0.85 ALDH1A1 (0.41) MAPTALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL13086356 0.85 ALDH1A1 (0.41) MAPTALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL2778886 0.84 ALDH1A1 (0.42) MAPTALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL13086368 0.83 ALDH1A1 (0.41) MAPTALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL2778319 0.83 ALDH1A1 (0.42) MAPTALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL18544318 0.78 ALDH1A1 (0.50) MAPTALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL2793150 0.77 MAPT (0.38) MAPTALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL2795926 0.77 MAPT (0.41) MAPTALDH1A1HPGDSMN1; SMN2LMNA

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