SCHEMBL6566908

SCHEMBL6566908

COCCCCOC1CCN(c2cccc(C(=O)OC)c2)C1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
GRM2 Q14416 1/20 0.47
RAB9A P51151 2/20 0.44
PMM2 O15305 1/20 0.44
MPI P34949 1/20 0.44
PHOSPHO1 Q8TCT1 1/20 0.44
ALDH1A1 P00352 2/20 0.42
ATM Q13315 1/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
HDAC6 Q9UBN7 2/20 0.41
HDAC8 Q9BY41 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TP53 P04637 1/20 0.40
NPC1 O15118 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CACNA2D1 P54289 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRL1 P41146 1/20 0.40
MAPT P10636 1/20 0.39

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
SCHEMBL6355657 0.91 ALDH1A1 (0.47) GAARAB9APMM2MPIPHOSPHO1
SCHEMBL6568249 0.79 GAA (0.56) GAAGRM2RAB9APMM2MPI
SCHEMBL28758908 0.78 GAA (0.55) GAAGRM2RAB9APMM2MPI
SCHEMBL7421223 0.71 GAA (0.47) GAAGRM2RAB9APMM2MPI
SCHEMBL4121023 0.70 GAA (0.57) GAAGRM2RAB9APMM2MPI
SCHEMBL2954604 0.70 MCHR1 (0.59) ALDH1A1HDAC6HDAC8HPGD
SCHEMBL2959882 0.70 HDAC8 (0.54) ALDH1A1HDAC6HDAC8HPGD
SCHEMBL2957396 0.69 MRGPRX4 (0.47) GAAALDH1A1L3MBTL1PKMKDM4E
SCHEMBL27729697 0.69 TDP1 (0.56) RAB9AALDH1A1HDAC6NPC1SMN1; SMN2
SCHEMBL2950264 0.69 ROCK2 (0.49) GRM2ALDH1A1ATMHDAC6HDAC8

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-1448520-A1 BENZAMIDE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, AND THEIR PHARMACEUTICAL USE SMITHKLINE BEECHAM PLC (GB) 2004-08-25 EP disclosed
WO-2003045913-A1 BENZAMIDE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, AND THEIR PHARMACEUTICAL USE SMITHKLINE BEECHAM P.L.C. (GB) 2003-06-05 WO disclosed