SCHEMBL8882481

SCHEMBL8882481

CCOC(=O)c1c(CN(CC)CC)nc2cc(OC)c(OC)cc2c1-c1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC10A2 Q12908 2/20 0.44
▸ MAPT P10636 4/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ GAA P10253 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ GPR55 Q9Y2T6 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ PDGFRB P09619 1/20 0.41
▸ PDGFRA P16234 1/20 0.41
▸ TP53 P04637 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ GRM6 O15303 1/20 0.39
▸ CACNB4 O00305 1/20 0.39
▸ CACNA1A O00555 1/20 0.39
▸ CACNA1G O43497 1/20 0.39
▸ CACNG3 O60359 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
SCHEMBL8886500 0.91 GAA (0.52) SLC10A2MAPTKDM4EGAAALDH1A1
SCHEMBL8883891 0.90 MAPT (0.46) SLC10A2MAPTKDM4EGAAALDH1A1
SCHEMBL8137960 0.90 SLC10A2 (0.54) SLC10A2MAPTKDM4EGAAALDH1A1
SCHEMBL8883731 0.87 MAPT (0.59) SLC10A2MAPTKDM4EGAAALDH1A1
SCHEMBL8883747 0.87 SLC10A2 (0.45) SLC10A2MAPTKDM4EGAAALDH1A1
SCHEMBL8139078 0.85 SLC10A2 (0.51) SLC10A2MAPTKDM4EGAAALDH1A1
Hydrochloric Acid SCHEMBL8124959 0.84 SLC10A2 (0.50) SLC10A2MAPTKDM4EGAAALDH1A1
SCHEMBL8886772 0.81 SLC10A2 (0.56) SLC10A2MAPTKDM4EGAAALDH1A1
Diethylamine SCHEMBL8882486 0.80 GAA (0.51) SLC10A2MAPTKDM4EGAAALDH1A1
Hydrochloric Acid SCHEMBL8138577 0.80 SLC10A2 (0.49) SLC10A2MAPTKDM4EGAAALDH1A1

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
US-5650410-A ANTIINFLAMMATORY AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-07-22 — — US disclosed
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