SCHEMBL7090932

SCHEMBL7090932

CCOC(=O)CC(=O)Oc1cccc(C)c1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.59
TDP1 Q9NUW8 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
GAA P10253 2/20 0.50
MGAM O43451 1/20 0.50
SI P14410 1/20 0.50
MGAM2 Q2M2H8 1/20 0.50
FAAH O00519 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
ACHE P22303 1/20 0.46
MAPT P10636 1/20 0.46
GLA P06280 1/20 0.45

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
SCHEMBL29328685 0.91 LMNA (0.69) LMNAGAAFAAHALDH1A1CYP3A4
SCHEMBL27949963 0.86 GAA (0.50) LMNAGAAMGAMSIMGAM2
SCHEMBL27842352 0.86 MGAM (0.46) LMNATDP1GAAMGAMSI
SCHEMBL10709895 0.84 GAA (0.56) TDP1GAAMGAMSIMGAM2
SCHEMBL27873086 0.83 TP53 (0.45) LMNATDP1GAAMGAMSI
SCHEMBL28048831 0.83 GAA (0.54) TDP1GAAMGAMSIMGAM2
SCHEMBL28781611 0.83 GAA (0.54) TDP1GAAMGAMSIMGAM2
Ammonia Solution, Strong SCHEMBL27849187 0.83 GAA (0.54) TDP1GAAMGAMSIMGAM2
SCHEMBL308933 0.83 LMNA (0.62) LMNATDP1L3MBTL1GAAMAPK1
SCHEMBL11708911 0.82 LMNA (0.67) LMNATDP1L3MBTL1GAAALDH1A1

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-1339688-A1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN AstraZeneca AB (SE) 2003-09-03 EP disclosed
WO-2002036567-A1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2002-05-10 WO disclosed