SCHEMBL20826480

SCHEMBL20826480

CCOC(=O)C(C)(C)c1cccc(C2OCCO2)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.41
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.36
MAOB P27338 1/20 0.36
KCNN4 O15554 1/20 0.36
CACNA1F O60840 1/20 0.35
CACNA1D Q01668 1/20 0.35
CACNA1S Q13698 1/20 0.35
CACNA1C Q13936 1/20 0.35
HTT P42858 1/20 0.34
F2 P00734 1/20 0.34
F10 P00742 1/20 0.34
PLG P00747 1/20 0.34
PRSS1 P07477 1/20 0.34
PIN1 Q13526 1/20 0.34

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
SCHEMBL20791050 0.90 ALDH1A1 (0.37) CNR2ALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL3648987 0.85 SMN1; SMN2 (0.41) CNR2ALDH1A1SMN1; SMN2LMNAKCNN4
SCHEMBL2060134 0.76 CNR2 (0.52) CNR2LMNAMAOBF2F10
SCHEMBL3923273 0.75 CNR2 (0.51) CNR2MAOBPIN1
SCHEMBL7040767 0.74 CNR2 (0.39) CNR2MAOBF2F10PLG
SCHEMBL11937216 0.74 LMNA (0.49) ALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL13860067 0.74 MMP8 (0.43) ALDH1A1SMN1; SMN2TSHRHTT
SCHEMBL20790639 0.74 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL421400 0.74 CNR2 (0.47) CNR2ALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL3654667 0.74 ALDH1A1 (0.39) CNR2ALDH1A1SMN1; SMN2LMNAHTT

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-2019055590-A1 BISAMIDE SARCOMERE ACTIVATING COMPOUNDS AND USES THEREOF AMGEN INC. (US) 2019-03-21 WO disclosed