SCHEMBL31743451

SCHEMBL31743451

COc1nn(-c2ccc(C)cc2OC)c(=O)o1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABHD16A O95870 2/20 0.50
MGLL Q99685 4/20 0.48
FAAH O00519 4/20 0.46
ACHE P22303 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
LPL P06858 1/20 0.38
LIPC P11150 1/20 0.38
LIPE Q05469 1/20 0.38
ABHD6 Q9BV23 1/20 0.38
MEN1 O00255 1/20 0.37
KDM1A O60341 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 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
SCHEMBL10826618 1.00 ABHD16A (0.50) ABHD16AMGLLFAAHACHESMN1; SMN2
SCHEMBL11020550 0.88 ABHD16A (0.45) ABHD16AMGLLFAAHACHELIPC
SCHEMBL11619464 0.84 ABHD16A (0.49) ABHD16AMGLLFAAHLMNAMAPT
SCHEMBL74675 0.81 ABHD16A (0.57) ABHD16AMGLLFAAH
SCHEMBL11036133 0.80 KDM4E (0.49) ABHD16AMGLLFAAHACHELIPC
SCHEMBL2235103 0.77 ABHD16A (0.74) ABHD16AMGLLFAAHSMN1; SMN2LPL
SCHEMBL7044057 0.76 ABHD16A (0.49) ABHD16AMGLLFAAHLPLLIPC
SCHEMBL11621778 0.73 ABHD16A (0.52) ABHD16AMGLLFAAHLPLLIPC
SCHEMBL10475387 0.73 MAPT (0.48) MEN1KMT2AMAPT
SCHEMBL11623525 0.72 ABHD16A (0.51) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4663196-A1 DECOLONIZATION OF PATHOGENIC ENTEROBACTERIA, SUCH AS E. COLI AND/OR KLEBSIELLA PNEUMONIAE, FROM THE GUT USING STRAINS OF E. COLI Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2025-12-17 EP claimed
EP-4663196-A1 DECOLONIZATION OF PATHOGENIC ENTEROBACTERIA, SUCH AS E. COLI AND/OR KLEBSIELLA PNEUMONIAE, FROM THE GUT USING STRAINS OF E. COLI Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2025-12-17 EP disclosed