SCHEMBL27799994

SCHEMBL27799994

CC(=O)Oc1cccc2c(=O)c3ccc(C)c(C)c3oc12.[NaH]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 2/20 0.56
STING1 Q86WV6 1/20 0.56
MAPT P10636 4/20 0.49
GBA1 P04062 1/20 0.47
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 4/20 0.43
GAA P10253 3/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 2/20 0.43
MPI P34949 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAOA P21397 4/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ADORA3 P0DMS8 2/20 0.41
ADORA2A P29274 2/20 0.41
ADORA1 P30542 1/20 0.41
MCL1 Q07820 1/20 0.41
NQO1 P15559 1/20 0.41
MAOB P27338 1/20 0.41

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
SCHEMBL3649676 0.99 GLA (0.57) GLASTING1MAPTGBA1KDM4E
SCHEMBL29276460 0.83 MAOA (0.49) GLASTING1MAPTGBA1KDM4E
SCHEMBL4422467 0.79 MAPT (0.42) GLASTING1MAPTGBA1KDM4E
SCHEMBL4849595 0.78 MAOA (0.68) GLAMAPTKDM4EALDH1A1LMNA
SCHEMBL4563526 0.77 MAPT (0.42) GLASTING1MAPTGBA1KDM4E
Acetic Acid SCHEMBL3271275 0.77 GLA (0.64) GLASTING1GAASMN1; SMN2NPC1
SCHEMBL13395991 0.77 GLA (0.62) GLASTING1NPC1RAB9AMCL1
SCHEMBL7235919 0.75 KDM4E (0.49) MAPTKDM4EALDH1A1GAALMNA
SCHEMBL13025119 0.75 GLA (0.81) GLASTING1MAPTKDM4EALDH1A1
Vadimezan SCHEMBL4282923 0.74 STING1 (0.97) GLASTING1KDM4ESMN1; SMN2NPC1

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
CN-101878206-A Crystalline forms of (5, 6-dimethyl-9-oxo-9H-xanthen-4-yl) acetic acid sodium salt ANTISOMA RES LTD 2010-11-03 CN disclosed
CN-101878206-A Crystalline forms of (5, 6-dimethyl-9-oxo-9H-xanthen-4-yl) acetic acid sodium salt ANTISOMA RES LTD 2010-11-03 CN disclosed