SCHEMBL6601929

SCHEMBL6601929

COc1nn(-c2ccc(NCc3cc(OC)c(OC)cc3Br)cc2)c(=O)o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABHD16A O95870 2/20 0.50
MGLL Q99685 3/20 0.46
FAAH O00519 2/20 0.46
LPL P06858 1/20 0.46
LIPC P11150 1/20 0.46
LIPE Q05469 1/20 0.46
UTS2R Q9UKP6 4/20 0.44
GAA P10253 5/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 2/20 0.39
MAPT P10636 4/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 2/20 0.38
KDM4E B2RXH2 3/20 0.38
GFER P55789 1/20 0.38
CASP1 P29466 2/20 0.37
HSD17B10 Q99714 2/20 0.37
USP2 O75604 1/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL6599090 0.77 ABHD16A (0.62) ABHD16AMGLLFAAHLPLLIPC
SCHEMBL6600012 0.76 MGLL (0.51) ABHD16AMGLLFAAHLPLLIPC
Trifluoroacetic Acid SCHEMBL6601589 0.75 ABHD16A (0.47) ABHD16AMGLLFAAHLPLLIPC
SCHEMBL6603229 0.74 ABHD16A (0.52) ABHD16AMGLLFAAHLPLLIPC
SCHEMBL2233598 0.73 ABHD16A (0.72) ABHD16AMGLLFAAHLPLLIPC
Trifluoroacetic Acid SCHEMBL6599708 0.72 LPL (0.46) ABHD16AMGLLFAAHLPLLIPC
SCHEMBL6599576 0.71 ABHD16A (0.54) ABHD16AMGLLFAAHLPLLIPC
SCHEMBL6599976 0.71 LMNA (0.56) ABHD16AMGLLFAAHMEN1KMT2A
Trifluoroacetic Acid SCHEMBL6601368 0.71 MGLL (0.43) ABHD16AMGLLFAAHLPLLIPC
Trifluoroacetic Acid SCHEMBL6602539 0.70 MAPT (0.45) ABHD16AMGLLFAAHLPLLIPC

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