SCHEMBL8512543

SCHEMBL8512543

CC(=O)Oc1ccc2cc(-c3ccsc3)c(=O)oc2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 5/20 0.74
▸ MAOA P21397 1/20 0.74
▸ GLA P06280 5/20 0.70
▸ KDM4E B2RXH2 4/20 0.70
▸ NPC1 O15118 4/20 0.70
▸ RAB9A P51151 4/20 0.70
▸ MEN1 O00255 1/20 0.70
▸ KMT2A Q03164 1/20 0.70
▸ TMIGD3 P0DMS9 3/20 0.64
▸ ADORA2A P29274 3/20 0.64
▸ GAPDH P04406 5/20 0.59
▸ GAA P10253 3/20 0.55
▸ HPGD P15428 2/20 0.55
▸ CASP1 P29466 2/20 0.55
▸ CASP7 P55210 2/20 0.55
▸ HSD17B10 Q99714 2/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ CA12 O43570 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ CA9 Q16790 1/20 0.53

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
SCHEMBL4818443 0.85 MAOB (1.00) MAOBMAOANPC1RAB9AMEN1
SCHEMBL15286102 0.85 NPC1 (0.85) MAOBGLAKDM4ENPC1RAB9A
SCHEMBL14880118 0.83 NPC1 (1.00) MAOBGLAKDM4ENPC1RAB9A
SCHEMBL20288536 0.81 NPC1 (0.79) MAOBMAOAGLAKDM4ENPC1
SCHEMBL16520513 0.81 NPC1 (0.79) MAOBGLAKDM4ENPC1RAB9A
SCHEMBL18523591 0.81 NPC1 (0.77) MAOBGLAKDM4ENPC1RAB9A
Acetic Acid SCHEMBL8512545 0.81 MAOB (0.62) MAOBMAOAGLAKDM4ENPC1
SCHEMBL28585595 0.81 NPC1 (0.73) MAOBMAOAGLAKDM4ENPC1
SCHEMBL31566290 0.81 NPC1 (0.81) MAOBGLAKDM4ENPC1RAB9A
SCHEMBL8115599 0.81 NPC1 (0.77) MAOBGLAKDM4ENPC1RAB9A

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-3269822-A1 METHODS AND COMPOSITIONS TO DETECT A BIOLOGICAL ACTIVITY 3M Innovative Properties Company (US) 2018-01-17 — — EP disclosed
EP-2643471-B1 METHODS AND COMPOSITIONS TO DETECT A BIOLOGICAL ACTIVITY 3M INNOVATIVE PROPERTIES CO (US) 2017-08-30 — — EP disclosed
EP-2643471-A1 METHODS AND COMPOSITIONS TO DETECT A BIOLOGICAL ACTIVITY 3M Innovative Properties Company (US) 2013-10-02 — — EP disclosed
WO-2012071131-A1 METHODS AND COMPOSITIONS TO DETECT A BIOLOGICAL ACTIVITY 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-05-31 — — WO disclosed
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