SCHEMBL4404667

SCHEMBL4404667

COc1nn(-c2ccc(N)c(OC)c2)c(=O)o1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABHD16A O95870 2/20 0.59
MGLL Q99685 5/20 0.55
FAAH O00519 2/20 0.54
LPL P06858 1/20 0.45
LIPC P11150 1/20 0.45
LIPE Q05469 1/20 0.45
ABHD6 Q9BV23 1/20 0.42
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
Hydrochloric Acid SCHEMBL5425491 0.99 ABHD16A (0.58) ABHD16AMGLLFAAHLPLLIPC
SCHEMBL7043178 0.86 ABHD16A (0.59) ABHD16AMGLLFAAHLPLLIPC
Hydrochloric Acid SCHEMBL2834123 0.82 ABHD16A (0.52) ABHD16AMGLLFAAH
SCHEMBL7046310 0.82 ABHD16A (0.61) ABHD16AMGLLFAAHLIPCLIPE
SCHEMBL7046228 0.81 ABHD16A (0.72) ABHD16AMGLLFAAHLPLLIPC
SCHEMBL4398899 0.79 ABHD16A (0.65) ABHD16AMGLLFAAHLPLLIPC
SCHEMBL7047523 0.79 MGLL (0.67) ABHD16AMGLLFAAHLIPCLIPE
SCHEMBL7046287 0.77 MGLL (0.57) ABHD16AMGLLFAAHALDH1A1
SCHEMBL2235103 0.76 ABHD16A (0.74) ABHD16AMGLLFAAHLPLLIPC
SCHEMBL2233598 0.75 ABHD16A (0.72) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1523475-B1 HETEROCYCLICALLY SUBSTITUTED BENZOYLUREAS, METHOD FOR THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS SANOFI AVENTIS DEUTSCHLAND (DE) 2009-12-23 EP disclosed
EP-1523475-A1 HETEROCYCLICALLY SUBSTITUTED BENZOYLUREAS, METHOD FOR THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS Aventis Pharma Deutschland GmbH (DE) 2005-04-20 EP disclosed
WO-2004007455-A1 HETEROCYCLICALLY SUBSTITUTED BENZOYLUREAS, METHOD FOR THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-01-22 WO disclosed