SCHEMBL7320591

SCHEMBL7320591

CC(C)OC(=O)C(=Cc1cccc(Cl)c1Cl)C(=O)COC(N)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.37
LMNA P02545 2/20 0.37
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
PPP1R15A O75807 1/20 0.36
MELK Q14680 1/20 0.36
PPP1R15B Q5SWA1 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
PTGS2 P35354 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
MAPT P10636 3/20 0.32
PLA2G1B P04054 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
TAS1R2 Q8TE23 1/20 0.32
PYGL P06737 1/20 0.32
PYGM P11217 1/20 0.32

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
SCHEMBL7320586 1.00 SMN1; SMN2 (0.37) SMN1; SMN2LMNAALDH1A1L3MBTL1PPP1R15A
SCHEMBL7322373 0.90 SMN1; SMN2 (0.38) SMN1; SMN2LMNAALDH1A1L3MBTL1PPP1R15A
SCHEMBL7322381 0.90 SMN1; SMN2 (0.38) SMN1; SMN2LMNAALDH1A1L3MBTL1PPP1R15A
SCHEMBL7984000 0.80 SMN1; SMN2 (0.42) SMN1; SMN2LMNAALDH1A1L3MBTL1PPP1R15A
SCHEMBL7983994 0.80 SMN1; SMN2 (0.42) SMN1; SMN2LMNAALDH1A1L3MBTL1PPP1R15A
SCHEMBL9760210 0.74 MAPT (0.45) SMN1; SMN2LMNAALDH1A1L3MBTL1NPSR1
SCHEMBL9760205 0.74 MAPT (0.45) SMN1; SMN2LMNAALDH1A1L3MBTL1NPSR1
SCHEMBL7281040 0.71 KMT2A (0.39) SMN1; SMN2LMNAALDH1A1L3MBTL1PPP1R15A
SCHEMBL7281037 0.71 KMT2A (0.39) SMN1; SMN2LMNAALDH1A1L3MBTL1PPP1R15A
SCHEMBL15026426 0.70 CA1 (0.46) SMN1; SMN2LMNAALDH1A1NPSR1MEN1

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
EP-0311053-A2 Ameliorant of cerebral circulation and optical isomer of nb-818, processes for its production and its use BANYU PHARMACEUTICAL CO., LTD. (JP) 1989-04-12 EP claimed
US-5494923-A Method of ameliorating cerebral circulation BANYU PHARMACEUTICAL CO., LTD. (JP) 1996-02-27 US disclosed
US-5444077-A Ameliorant of cerebral circulation and optical isomer of NB-818, processes for its use BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-08-22 US disclosed
EP-0311053-A2 Ameliorant of cerebral circulation and optical isomer of nb-818, processes for its production and its use BANYU PHARMACEUTICAL CO., LTD. (JP) 1989-04-12 EP disclosed