SCHEMBL7273906

SCHEMBL7273906

CC(=O)OC(OC(C)=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
SMN1; SMN2 Q16637 3/20 0.49
ACP3 P15309 1/20 0.49
TSHR P16473 5/20 0.48
LMNA P02545 2/20 0.48
HTT P42858 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
MEN1 O00255 1/20 0.48
HPGD P15428 1/20 0.48
KMT2A Q03164 1/20 0.48
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
GLO1 Q04760 1/20 0.47
TP53 P04637 1/20 0.46
ACHE P22303 1/20 0.46
ALOX15 P16050 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL7284977 0.84 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2ACP3LMNAHTT
SCHEMBL6905314 0.82 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2ACP3TSHRLMNA
SCHEMBL27937254 0.80 MAPT (0.53) ALDH1A1TSHRL3MBTL1MEN1HPGD
SCHEMBL7700608 0.80 TSHR (0.55) ALDH1A1SMN1; SMN2ACP3TSHRLMNA
SCHEMBL19031524 0.80 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2ACP3LMNAHTT
SCHEMBL12395373 0.78 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2ACP3TSHRLMNA
SCHEMBL2353731 0.77 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2ACP3TSHRLMNA
SCHEMBL2237573 0.77 L3MBTL1 (0.56) ALDH1A1SMN1; SMN2ACP3TSHRLMNA
SCHEMBL10638754 0.76 ATM (0.51) ALDH1A1SMN1; SMN2ACP3TSHRLMNA
SCHEMBL6627469 0.76 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2ACP3TSHRLMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103319344-B 1,1-diacetate synthesis catalyzed by sulfonated cage-type mesoporous carbon UNIV SHAANXI NORMAL 2015-05-20 CN disclosed
CN-103319344-A 1,1-diacetate synthesis catalyzed by sulfonated cage-type mesoporous carbon UNIV SHAANXI NORMAL 2013-09-25 CN disclosed
US-4795814-A CORONARY VASODILATORS, HYPOTENSIVE AGENTS, ANTIINFLAMMATORY AGENTS, ANTITUMOR AGENTTS, ENZYME INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-01-03 US disclosed
EP-0173126-A1 Process for preparing novel dihydropyridine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-03-05 EP disclosed