SCHEMBL7284977

SCHEMBL7284977

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

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
ALDH1A1 P00352 4/20 0.47
LMNA P02545 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HPGD P15428 1/20 0.46
ACP3 P15309 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ATM Q13315 1/20 0.43

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
SCHEMBL27579052 0.88 KMT2A (0.48) SMN1; SMN2HTTL3MBTL1ALDH1A1LMNA
SCHEMBL7273906 0.84 ALDH1A1 (0.53) SMN1; SMN2HTTL3MBTL1ALDH1A1LMNA
SCHEMBL5493235 0.76 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ACYP3A4
SCHEMBL10994341 0.75 CCR1 (0.44) SMN1; SMN2HTTL3MBTL1ALDH1A1LMNA
SCHEMBL12395373 0.75 ALDH1A1 (0.56) SMN1; SMN2HTTL3MBTL1ALDH1A1LMNA
SCHEMBL7270443 0.75 PTPRC (0.49) SMN1; SMN2HTTL3MBTL1ALDH1A1LMNA
SCHEMBL7700608 0.75 TSHR (0.55) SMN1; SMN2HTTL3MBTL1ALDH1A1LMNA
SCHEMBL2353731 0.74 ALDH1A1 (0.53) SMN1; SMN2HTTL3MBTL1ALDH1A1LMNA
SCHEMBL27573412 0.74 KMT2A (0.60) SMN1; SMN2HTTL3MBTL1ALDH1A1LMNA
SCHEMBL27573413 0.74 KMT2A (0.60) SMN1; SMN2HTTL3MBTL1ALDH1A1LMNA

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
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