SCHEMBL6602421

SCHEMBL6602421

COc1nn(-c2ccc(NCc3ccc(OS(=O)(=O)c4ccccc4)cc3)cc2)c(=O)o1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 8/20 0.54
FAAH O00519 6/20 0.54
ABHD16A O95870 1/20 0.45
LPL P06858 1/20 0.42
LIPC P11150 1/20 0.42
LIPE Q05469 1/20 0.42
CA12 O43570 3/20 0.41
CA9 Q16790 3/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
HIF1A Q16665 1/20 0.40
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38

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
Trifluoroacetic Acid SCHEMBL6601669 0.78 MGLL (0.52) MGLLFAAHABHD16ALPLLIPC
SCHEMBL7043150 0.75 MGLL (0.63) MGLLFAAHABHD16ALIPCLIPE
SCHEMBL6603229 0.74 ABHD16A (0.52) MGLLFAAHABHD16ALPLLIPC
SCHEMBL7047556 0.74 MGLL (0.57) MGLLFAAHABHD16ALPLLIPC
Trifluoroacetic Acid SCHEMBL6601748 0.73 FAAH (0.44) MGLLFAAHABHD16ALPLLIPC
Trifluoroacetic Acid SCHEMBL6601568 0.72 LPL (0.47) MGLLFAAHABHD16ALPLLIPC
SCHEMBL6599090 0.72 ABHD16A (0.62) MGLLFAAHABHD16ALPLLIPC
SCHEMBL6552566 0.72 MGLL (1.00) MGLLFAAHABHD16A
SCHEMBL11620781 0.71 FAAH (0.78) MGLLFAAHABHD16ALPLLIPC
SCHEMBL6600012 0.71 MGLL (0.51) MGLLFAAHABHD16ALPLLIPC

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
EP-1263745-B1 SUBSTITUTED 3-PHENYL-5-ALKOXI-1,3,4-OXDIAZOL-2-ONE AND USE THEREOF FOR INHIBITING HORMONE-SENSITIVE LIPASE AVENTIS PHARMA GMBH (DE) 2004-05-19 EP disclosed